diff --git a/api/cpp/CMakeLists.txt b/api/cpp/CMakeLists.txt index 52bdd5cacd..740d84bff6 100644 --- a/api/cpp/CMakeLists.txt +++ b/api/cpp/CMakeLists.txt @@ -18,5 +18,5 @@ if (NOT EMSCRIPTEN) target_include_directories(${PROJECT_NAME} PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}/src) target_link_libraries(${PROJECT_NAME} - PRIVATE indigo indigo-inchi indigo-renderer bingo-nosql) + PUBLIC indigo indigo-inchi indigo-renderer bingo-nosql) endif () diff --git a/api/cpp/src/BingoNoSQL.cpp b/api/cpp/src/BingoNoSQL.cpp index 73df91b5a9..412f8aca2b 100644 --- a/api/cpp/src/BingoNoSQL.cpp +++ b/api/cpp/src/BingoNoSQL.cpp @@ -21,7 +21,7 @@ #include #include "IndigoException.h" -#include "IndigoSDFileIterator.h" +#include "IndigoIterator.h" using namespace indigo_cpp; @@ -95,7 +95,7 @@ int BingoNoSQL::insertRecord(const target_t& entity) } template -int BingoNoSQL::insertIterator(const IndigoSDFileIterator& iterator) +int BingoNoSQL::insertIterator(const IndigoIterator& iterator) { session->setSessionId(); return session->_checkResult(bingoInsertIteratorObj(id, iterator.id())); @@ -123,6 +123,14 @@ BingoResultIterator BingoNoSQL::searchSim(const tar return {session->_checkResult(bingoSearchSim(id, query.id(), min, max, to_string(metric))), session}; } +template +BingoResultIterator BingoNoSQL::searchSim(const target_t& query, const double min, const double max, + const std::string& options) const +{ + session->setSessionId(); + return {session->_checkResult(bingoSearchSim(id, query.id(), min, max, options.c_str())), session}; +} + template std::string BingoNoSQL::getStatistics(bool for_session) const { @@ -130,4 +138,11 @@ std::string BingoNoSQL::getStatistics(bool for_session) const return session->_checkResultString(bingoProfilingGetStatistics(static_cast(for_session))); } +template +BingoResultIterator BingoNoSQL::searchExact(const target_t& query, const std::string& options) const +{ + session->setSessionId(); + return {session->_checkResult(bingoSearchExact(id, query.id(), options.c_str())), session}; +} + template class indigo_cpp::BingoNoSQL; diff --git a/api/cpp/src/BingoNoSQL.h b/api/cpp/src/BingoNoSQL.h index 246d881026..15fb5ed83b 100644 --- a/api/cpp/src/BingoNoSQL.h +++ b/api/cpp/src/BingoNoSQL.h @@ -49,12 +49,14 @@ namespace indigo_cpp void close(); int insertRecord(const target_t& entity); - int insertIterator(const IndigoSDFileIterator& iterator); + int insertIterator(const IndigoIterator& iterator); void deleteRecord(int recordId); BingoResultIterator searchSub(const query_t& query, const std::string& options = "") const; + BingoResultIterator searchExact(const target_t& query, const std::string& options = "") const; BingoResultIterator searchSim(const target_t& query, double min, double max = 1.0, IndigoSimilarityMetric metric = IndigoSimilarityMetric::TANIMOTO) const; + BingoResultIterator searchSim(const target_t& query, const double min, const double max, const std::string& options = "") const; IndigoSessionPtr session; diff --git a/api/cpp/src/IndigoIterator.h b/api/cpp/src/IndigoIterator.h new file mode 100644 index 0000000000..19c364e90f --- /dev/null +++ b/api/cpp/src/IndigoIterator.h @@ -0,0 +1,115 @@ +/**************************************************************************** + * Copyright (C) from 2009 to Present EPAM Systems. + * + * This file is part of Indigo toolkit. + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + ***************************************************************************/ + +#pragma once + +#include + +#include + +#include "IndigoObject.h" + +namespace indigo_cpp +{ + class IndigoSession; + + template + class IndigoIterator : public IndigoObject + { + private: + std::shared_ptr _current = nullptr; + + public: + class iterator + { + private: + IndigoIterator* _obj; + + public: + using value_type = std::shared_ptr; + using reference = value_type&; + using pointer = const value_type*; + + explicit iterator(IndigoIterator* obj) : _obj{obj} + { + } + + reference operator*() + { + return _obj->_current; + } + + iterator& operator++() + { + increment(); + return *this; + } + + bool operator!=(iterator rhs) const + { + return this->_obj != rhs._obj; + } + + protected: + void increment() + { + _obj->next(); + if (!_obj->valid()) + { + _obj = nullptr; + } + } + }; + + IndigoIterator(int id, IndigoSessionPtr session) : IndigoObject(id, std::move(session)) + { + } + + friend class IndigoSession; + + public: + iterator begin() + { + return ++iterator{this}; + } + + static iterator end() + { + return iterator{nullptr}; + } + + void next() + { + session()->setSessionId(); + auto nextId = session()->_checkResult(indigoNext(id())); + if (nextId == 0) + { + _current = nullptr; + } + else + { + _current = std::make_shared(nextId, session()); + } + } + + bool valid() const + { + return _current != nullptr; + } + }; +} diff --git a/api/cpp/src/IndigoRDFileIterator.cpp b/api/cpp/src/IndigoRDFileIterator.cpp deleted file mode 100644 index e5f82f8edf..0000000000 --- a/api/cpp/src/IndigoRDFileIterator.cpp +++ /dev/null @@ -1,92 +0,0 @@ -/**************************************************************************** - * Copyright (C) from 2009 to Present EPAM Systems. - * - * This file is part of Indigo toolkit. - * - * Licensed under the Apache License, Version 2.0 (the "License"); - * you may not use this file except in compliance with the License. - * You may obtain a copy of the License at - * - * http://www.apache.org/licenses/LICENSE-2.0 - * - * Unless required by applicable law or agreed to in writing, software - * distributed under the License is distributed on an "AS IS" BASIS, - * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. - * See the License for the specific language governing permissions and - * limitations under the License. - ***************************************************************************/ - -#include "IndigoRDFileIterator.h" - -#include - -#include "IndigoSession.h" - -using namespace indigo_cpp; - -IndigoRDFileIterator::iterator::iterator(IndigoRDFileIterator* obj) : _obj{obj} -{ -} - -IndigoRDFileIterator::iterator::reference IndigoRDFileIterator::iterator::operator*() -{ - return _obj->_current; -} - -IndigoRDFileIterator::iterator& IndigoRDFileIterator::iterator::operator++() -{ - increment(); - return *this; -} - -bool IndigoRDFileIterator::iterator::operator==(IndigoRDFileIterator::iterator rhs) const -{ - return _obj == rhs._obj; -} - -bool IndigoRDFileIterator::iterator::operator!=(IndigoRDFileIterator::iterator rhs) const -{ - return !(rhs == *this); -} - -void IndigoRDFileIterator::iterator::increment() -{ - _obj->next(); - if (!_obj->valid()) - { - _obj = nullptr; - } -} - -IndigoRDFileIterator::IndigoRDFileIterator(const int id, IndigoSessionPtr session) : IndigoObject(id, std::move(session)) -{ -} - -IndigoRDFileIterator::iterator IndigoRDFileIterator::begin() -{ - return ++iterator{this}; -} - -IndigoRDFileIterator::iterator IndigoRDFileIterator::end() -{ - return iterator{nullptr}; -} - -void IndigoRDFileIterator::next() -{ - session()->setSessionId(); - auto nextId = session()->_checkResult(indigoNext(id())); - if (nextId == 0) - { - _current = nullptr; - } - else - { - _current = std::make_shared(nextId, session()); - } -} - -bool IndigoRDFileIterator::valid() const -{ - return _current != nullptr; -} diff --git a/api/cpp/src/IndigoRDFileIterator.h b/api/cpp/src/IndigoRDFileIterator.h deleted file mode 100644 index 52c7e406cf..0000000000 --- a/api/cpp/src/IndigoRDFileIterator.h +++ /dev/null @@ -1,73 +0,0 @@ -/**************************************************************************** - * Copyright (C) from 2009 to Present EPAM Systems. - * - * This file is part of Indigo toolkit. - * - * Licensed under the Apache License, Version 2.0 (the "License"); - * you may not use this file except in compliance with the License. - * You may obtain a copy of the License at - * - * http://www.apache.org/licenses/LICENSE-2.0 - * - * Unless required by applicable law or agreed to in writing, software - * distributed under the License is distributed on an "AS IS" BASIS, - * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. - * See the License for the specific language governing permissions and - * limitations under the License. - ***************************************************************************/ - -#pragma once - -#include - -#include "IndigoObject.h" -#include "IndigoReaction.h" - -namespace indigo_cpp -{ - class IndigoReaction; - class IndigoSession; - - class IndigoRDFileIterator : public IndigoObject - { - private: - IndigoReactionPtr _current = nullptr; - - public: - class iterator - { - private: - IndigoRDFileIterator* _obj; - - public: - using value_type = IndigoReactionPtr; - using reference = value_type&; - using pointer = const value_type*; - // using iterator_category = std::input_iterator_tag; - - explicit iterator(IndigoRDFileIterator* obj); - - reference operator*(); - iterator& operator++(); - - bool operator==(iterator rhs) const; - bool operator!=(iterator rhs) const; - - protected: - void increment(); - }; - - private: - IndigoRDFileIterator(int id, IndigoSessionPtr session); - - friend class IndigoSession; - - public: - iterator begin(); - static iterator end(); - - void next(); - - bool valid() const; - }; -} diff --git a/api/cpp/src/IndigoSDFileIterator.cpp b/api/cpp/src/IndigoSDFileIterator.cpp deleted file mode 100644 index a82d6f340f..0000000000 --- a/api/cpp/src/IndigoSDFileIterator.cpp +++ /dev/null @@ -1,92 +0,0 @@ -/**************************************************************************** - * Copyright (C) from 2009 to Present EPAM Systems. - * - * This file is part of Indigo toolkit. - * - * Licensed under the Apache License, Version 2.0 (the "License"); - * you may not use this file except in compliance with the License. - * You may obtain a copy of the License at - * - * http://www.apache.org/licenses/LICENSE-2.0 - * - * Unless required by applicable law or agreed to in writing, software - * distributed under the License is distributed on an "AS IS" BASIS, - * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. - * See the License for the specific language governing permissions and - * limitations under the License. - ***************************************************************************/ - -#include "IndigoSDFileIterator.h" - -#include - -#include "IndigoSession.h" - -using namespace indigo_cpp; - -IndigoSDFileIterator::iterator::iterator(IndigoSDFileIterator* obj) : _obj{obj} -{ -} - -IndigoSDFileIterator::iterator::reference IndigoSDFileIterator::iterator::operator*() -{ - return _obj->_current; -} - -IndigoSDFileIterator::iterator& IndigoSDFileIterator::iterator::operator++() -{ - increment(); - return *this; -} - -bool IndigoSDFileIterator::iterator::operator==(IndigoSDFileIterator::iterator rhs) const -{ - return _obj == rhs._obj; -} - -bool IndigoSDFileIterator::iterator::operator!=(IndigoSDFileIterator::iterator rhs) const -{ - return !(rhs == *this); -} - -void IndigoSDFileIterator::iterator::increment() -{ - _obj->next(); - if (!_obj->valid()) - { - _obj = nullptr; - } -} - -IndigoSDFileIterator::IndigoSDFileIterator(const int id, IndigoSessionPtr session) : IndigoObject(id, std::move(session)) -{ -} - -IndigoSDFileIterator::iterator IndigoSDFileIterator::begin() -{ - return ++iterator{this}; -} - -IndigoSDFileIterator::iterator IndigoSDFileIterator::end() -{ - return iterator{nullptr}; -} - -void IndigoSDFileIterator::next() -{ - session()->setSessionId(); - auto nextId = session()->_checkResult(indigoNext(id())); - if (nextId == 0) - { - _current = nullptr; - } - else - { - _current = std::make_shared(nextId, session()); - } -} - -bool IndigoSDFileIterator::valid() const -{ - return _current != nullptr; -} diff --git a/api/cpp/src/IndigoSDFileIterator.h b/api/cpp/src/IndigoSDFileIterator.h deleted file mode 100644 index 417fc52d7e..0000000000 --- a/api/cpp/src/IndigoSDFileIterator.h +++ /dev/null @@ -1,73 +0,0 @@ -/**************************************************************************** - * Copyright (C) from 2009 to Present EPAM Systems. - * - * This file is part of Indigo toolkit. - * - * Licensed under the Apache License, Version 2.0 (the "License"); - * you may not use this file except in compliance with the License. - * You may obtain a copy of the License at - * - * http://www.apache.org/licenses/LICENSE-2.0 - * - * Unless required by applicable law or agreed to in writing, software - * distributed under the License is distributed on an "AS IS" BASIS, - * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. - * See the License for the specific language governing permissions and - * limitations under the License. - ***************************************************************************/ - -#pragma once - -#include - -#include "IndigoMolecule.h" -#include "IndigoObject.h" - -namespace indigo_cpp -{ - class IndigoMolecule; - class IndigoSession; - - class IndigoSDFileIterator : public IndigoObject - { - private: - IndigoMoleculeSPtr _current = nullptr; - - public: - class iterator - { - private: - IndigoSDFileIterator* _obj; - - public: - using value_type = IndigoMoleculeSPtr; - using reference = value_type&; - using pointer = const value_type*; - // using iterator_category = std::input_iterator_tag; - - explicit iterator(IndigoSDFileIterator* obj); - - reference operator*(); - iterator& operator++(); - - bool operator==(iterator rhs) const; - bool operator!=(iterator rhs) const; - - protected: - void increment(); - }; - - private: - IndigoSDFileIterator(int id, IndigoSessionPtr session); - - friend class IndigoSession; - - public: - iterator begin(); - static iterator end(); - - void next(); - - bool valid() const; - }; -} diff --git a/api/cpp/src/IndigoSession.cpp b/api/cpp/src/IndigoSession.cpp index cc992d3497..53b8844e7f 100644 --- a/api/cpp/src/IndigoSession.cpp +++ b/api/cpp/src/IndigoSession.cpp @@ -21,10 +21,10 @@ #include #include "IndigoException.h" +#include "IndigoIterator.h" #include "IndigoMolecule.h" #include "IndigoQueryMolecule.h" -#include "IndigoRDFileIterator.h" -#include "IndigoSDFileIterator.h" +#include "IndigoReaction.h" #include "IndigoSubstructureMatcher.h" #include "IndigoWriteBuffer.h" @@ -156,13 +156,19 @@ IndigoWriteBuffer IndigoSession::writeBuffer() return {_checkResult(indigoWriteBuffer()), shared_from_this()}; } -IndigoSDFileIterator IndigoSession::iterateSDFile(const std::string& path) +IndigoIterator IndigoSession::iterateSDFile(const std::string& path) { setSessionId(); return {_checkResult(indigoIterateSDFile(path.c_str())), shared_from_this()}; } -IndigoRDFileIterator IndigoSession::iterateRDFile(const std::string& path) +IndigoIterator IndigoSession::iterateSmilesFile(const std::string& path) +{ + setSessionId(); + return {_checkResult(indigoIterateSmilesFile(path.c_str())), shared_from_this()}; +} + +IndigoIterator IndigoSession::iterateRDFile(const std::string& path) { setSessionId(); return {_checkResult(indigoIterateRDFile(path.c_str())), shared_from_this()}; diff --git a/api/cpp/src/IndigoSession.h b/api/cpp/src/IndigoSession.h index dc06ca5835..54288746ce 100644 --- a/api/cpp/src/IndigoSession.h +++ b/api/cpp/src/IndigoSession.h @@ -24,10 +24,11 @@ namespace indigo_cpp { class IndigoMolecule; + class IndigoReaction; class IndigoQueryMolecule; class IndigoWriteBuffer; - class IndigoRDFileIterator; - class IndigoSDFileIterator; + template + class IndigoIterator; class IndigoSession; class IndigoSubstructureMatcher; using IndigoSessionPtr = std::shared_ptr; @@ -62,8 +63,9 @@ namespace indigo_cpp IndigoQueryMolecule loadQueryMolecule(const std::string& data); IndigoWriteBuffer writeBuffer(); - IndigoRDFileIterator iterateRDFile(const std::string& path); - IndigoSDFileIterator iterateSDFile(const std::string& path); + IndigoIterator iterateRDFile(const std::string& path); + IndigoIterator iterateSDFile(const std::string& path); + IndigoIterator iterateSmilesFile(const std::string& path); IndigoSubstructureMatcher substructureMatcher(const IndigoMolecule& molecule, const std::string& mode = ""); private: diff --git a/api/cpp/tests/basic/basic.cpp b/api/cpp/tests/basic/basic.cpp index bf1bfbeeb9..27f8548552 100644 --- a/api/cpp/tests/basic/basic.cpp +++ b/api/cpp/tests/basic/basic.cpp @@ -19,9 +19,9 @@ #include #include +#include #include #include -#include #include #include "common.h" diff --git a/api/cpp/tests/bingo/basic.cpp b/api/cpp/tests/bingo/basic.cpp index 18e6ce5884..e7c39815a2 100644 --- a/api/cpp/tests/bingo/basic.cpp +++ b/api/cpp/tests/bingo/basic.cpp @@ -19,7 +19,7 @@ #include #include -#include +#include #include #include "common.h" diff --git a/api/cpp/tests/bingo/part.cpp b/api/cpp/tests/bingo/part.cpp new file mode 100644 index 0000000000..9272ea989d --- /dev/null +++ b/api/cpp/tests/bingo/part.cpp @@ -0,0 +1,163 @@ +/**************************************************************************** + * Copyright (C) from 2009 to Present EPAM Systems. + * + * This file is part of Indigo toolkit. + * + * Licensed under the Apache License, Version 2.0 (the "License"); + * you may not use this file except in compliance with the License. + * You may obtain a copy of the License at + * + * http://www.apache.org/licenses/LICENSE-2.0 + * + * Unless required by applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + ***************************************************************************/ + +#include + +#include +#include + +#include +#include +#include + +#include "common.h" + +using namespace std; +using namespace indigo_cpp; + +namespace +{ + enum class SearchType + { + EXACT, + SUB, + SIM + }; + + void partCreate() + { + auto session = IndigoSession::create(); + auto bingo = BingoMolecule::createDatabaseFile(session, "mol_part_db", "mt_size:2000"); + bingo.insertIterator(session->iterateSmilesFile(dataPath("molecules/basic/sample_100000.smi"))); + bingo.close(); + } + + void makeSearchSub(const BingoMolecule& bingo, const IndigoQueryMolecule& queryMolecule, const string& options, atomic& resultCounter) + { + auto search_counter = 0; + for (const auto& result : bingo.searchSub(queryMolecule, options)) + { + ++search_counter; + } + resultCounter += search_counter; + } + + void makeSearchExact(const BingoMolecule& bingo, const IndigoMolecule& molecule, const string& options, atomic& resultCounter) + { + auto search_counter = 0; + for (const auto& result : bingo.searchExact(molecule, options)) + { + ++search_counter; + } + resultCounter += search_counter; + } + + void makeSearchSim(const BingoMolecule& bingo, const IndigoMolecule& molecule, const string& options, atomic& resultCounter) + { + auto search_counter = 0; + for (const auto& result : bingo.searchSim(molecule, 0.5, 1.0, options)) + { + ++search_counter; + } + resultCounter += search_counter; + } + + void moleculeSearch(const SearchType& type, const BingoNoSQL& bingo, const int parts, vector& threads, + atomic& fullSearchCounter, atomic& partSearchCounter, int& index, const shared_ptr& rdfMolecule) + { + function&)> searchFunction; + if (type == SearchType::EXACT) + { + searchFunction = makeSearchExact; + } + else + { + searchFunction = makeSearchSim; + } + + const auto molecule = *rdfMolecule; + threads.emplace_back(searchFunction, cref(bingo), cref(molecule), "", ref(fullSearchCounter)); + for (int i = 1; i <= parts; i++) + { + stringstream ssOptions; + ssOptions << "part:" << i << "/" << parts << ""; + threads.emplace_back(searchFunction, cref(bingo), cref(molecule), ssOptions.str(), ref(partSearchCounter)); + } + for (auto& thread : threads) + { + thread.join(); + }; + EXPECT_EQ(fullSearchCounter, partSearchCounter); + ++index; + } + + void queryMoleculeSearch(IndigoSessionPtr& session, const BingoNoSQL& bingo, const int parts, + const shared_ptr& rdfMolecule, vector& threads, atomic& fullSearchCounter, + atomic& partSearchCounter) + { + function&)> searchFunction; + searchFunction = makeSearchSub; + const auto queryMolecule = session->loadQueryMolecule(rdfMolecule->rawData()); + threads.emplace_back(searchFunction, cref(bingo), cref(queryMolecule), "", ref(fullSearchCounter)); + for (int i = 1; i <= parts; i++) + { + stringstream ssOptions; + ssOptions << "part:" << i << "/" << parts << ""; + threads.emplace_back(searchFunction, cref(bingo), cref(queryMolecule), ssOptions.str(), ref(partSearchCounter)); + } + for (auto& thread : threads) + { + thread.join(); + }; + EXPECT_EQ(fullSearchCounter, partSearchCounter); + } + + void partTest(SearchType type) + { + auto session = IndigoSession::create(); + const auto bingo = BingoMolecule::loadDatabaseFile(session, "mol_part_db", ""); + auto index = 0; + + const auto parts = 3; + for (const auto& rdfMolecule : session->iterateSDFile(dataPath("molecules/basic/rand_queries_small.sdf"))) + { + vector threads; + threads.reserve(parts + 1); + atomic fullSearchCounter{0}; + atomic partSearchCounter{0}; + + if (type == SearchType::SUB) + { + queryMoleculeSearch(session, bingo, parts, rdfMolecule, threads, fullSearchCounter, partSearchCounter); + } + else + { + moleculeSearch(type, bingo, parts, threads, fullSearchCounter, partSearchCounter, index, rdfMolecule); + } + ++index; + } + } +} + +TEST(Bingo, DISABLED_Part) +{ + partCreate(); + partTest(SearchType::SIM); + partTest(SearchType::SUB); + partTest(SearchType::EXACT); +} diff --git a/api/cpp/tests/bingo/threads.cpp b/api/cpp/tests/bingo/threads.cpp index 0b84f8fd10..d9c20897d6 100644 --- a/api/cpp/tests/bingo/threads.cpp +++ b/api/cpp/tests/bingo/threads.cpp @@ -18,13 +18,11 @@ #include -#include #include #include #include -#include -#include +#include #include #include "common.h" @@ -45,9 +43,9 @@ namespace void testInsert(BingoMolecule& bingo, const char* path) { - for (const auto& m : bingo.session->iterateSDFile(dataPath(path))) + for (const auto& molecule : bingo.session->iterateSDFile(dataPath(path))) { - bingo.insertRecord(*m); + bingo.insertRecord(*molecule); } } diff --git a/api/cpp/tests/formats/rdf.cpp b/api/cpp/tests/formats/rdf.cpp index 8bf6e86cef..01dad5dbeb 100644 --- a/api/cpp/tests/formats/rdf.cpp +++ b/api/cpp/tests/formats/rdf.cpp @@ -18,7 +18,7 @@ #include -#include +#include #include #include diff --git a/api/cpp/tests/formats/sdf.cpp b/api/cpp/tests/formats/sdf.cpp index b2f8f035ab..06a6bc4d8f 100644 --- a/api/cpp/tests/formats/sdf.cpp +++ b/api/cpp/tests/formats/sdf.cpp @@ -18,9 +18,9 @@ #include +#include #include #include -#include #include #include "common.h" diff --git a/api/python/indigo/inchi.py b/api/python/indigo/inchi.py index 6bd8f2f067..84eb253738 100644 --- a/api/python/indigo/inchi.py +++ b/api/python/indigo/inchi.py @@ -89,7 +89,7 @@ def loadMolecule(self, inchi): res = self.indigo._checkResult( self._lib.indigoInchiLoadMolecule(inchi.encode("ascii")) ) - if res == 0: + if res < 0: return None return self.indigo.IndigoObject(self.indigo, res) diff --git a/api/tests/integration/ref/substructure/sub.py.out b/api/tests/integration/ref/substructure/sub.py.out index 4ab98ca2ea..ddefea31f6 100644 --- a/api/tests/integration/ref/substructure/sub.py.out +++ b/api/tests/integration/ref/substructure/sub.py.out @@ -6226,6 +6226,8 @@ Results per query: #493 : 0 #494 : 0 #495 : 0 +#496 : 0 +#497 : 0 **** Stereocenters **** #1 cnt=1 diff --git a/api/tests/integration/tests/bingo/molecules.py b/api/tests/integration/tests/bingo/molecules.py index 363e3eecd3..723ed64d12 100644 --- a/api/tests/integration/tests/bingo/molecules.py +++ b/api/tests/integration/tests/bingo/molecules.py @@ -97,7 +97,7 @@ def searchExact(bingo, q, options=""): ) for mol in indigo.iterateSDFile( - joinPathPy("molecules/rand_queries_small.sdf", __file__) + dataPath("molecules/basic/rand_queries_small.sdf") ): qmol = indigo.loadQueryMolecule(mol.rawData()) searchSub(bingo, qmol) diff --git a/api/tests/integration/tests/bingo/molecules/rand_queries_small.sdf b/api/tests/integration/tests/bingo/molecules/rand_queries_small.sdf deleted file mode 100644 index 031ecadb28..0000000000 --- a/api/tests/integration/tests/bingo/molecules/rand_queries_small.sdf +++ /dev/null @@ -1,18506 +0,0 @@ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 5.729300 -3.344900 0.000000 0 -M V30 2 C 5.044500 -2.968200 0.000000 0 -M V30 3 C 5.444200 -4.111200 0.000000 0 -M V30 4 F 5.301200 -2.175800 0.000000 0 -M V30 5 F 4.805100 -2.175800 0.000000 0 -M V30 6 N 4.613100 -4.086900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 END BOND -M V30 END CTAB -M END -> -1 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 Si 1.227600 -0.531000 0.000000 0 -M V30 2 C 0.027600 0.189700 0.000000 0 -M V30 3 C 2.465500 -1.255200 0.000000 0 -M V30 4 C 1.969000 0.703400 0.000000 0 -M V30 5 Si -1.206900 -0.510300 0.000000 0 -M V30 6 C -1.931000 0.724100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -2 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.000000 0.296600 0.000000 0 -M V30 2 C 1.155200 -0.531000 0.000000 0 -M V30 3 C -1.155200 -0.531000 0.000000 0 -M V30 4 O 0.000000 1.734500 0.000000 0 -M V30 5 C 0.706900 -1.900000 0.000000 0 -M V30 6 C 2.524100 -0.082800 0.000000 0 -M V30 7 C -0.706900 -1.900000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -3 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 7.217700 -4.524000 0.000000 0 -M V30 2 C 7.410800 -3.927500 0.000000 0 -M V30 3 C 7.919900 -4.686200 0.000000 0 -M V30 4 C 8.007300 -3.734400 0.000000 0 -M V30 5 N 7.041800 -3.420600 0.000000 0 -M V30 6 C 8.323900 -4.216500 0.000000 0 -M V30 7 C 7.410800 -2.917100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 6 2 5 7 -M V30 7 1 6 3 -M V30 END BOND -M V30 END CTAB -M END -> -4 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.451700 -0.996600 0.000000 0 -M V30 2 C 1.844800 -1.337900 0.000000 0 -M V30 3 O 3.069000 -1.337900 0.000000 0 -M V30 4 C 1.234500 -0.996600 0.000000 0 -M V30 5 C 3.669000 -0.996600 0.000000 0 -M V30 6 C 1.234500 -0.286200 0.000000 0 -M V30 7 C 3.669000 -0.286200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -5 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.434500 -0.393100 0.000000 0 -M V30 2 C 0.934500 0.520700 0.000000 0 -M V30 3 N -0.589700 -0.200000 0.000000 0 -M V30 4 N 0.220700 1.279300 0.000000 0 -M V30 5 C -1.348300 -0.913800 0.000000 0 -M V30 6 C -0.724100 0.834500 0.000000 0 -M V30 7 C -2.348300 -0.617200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 2 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -6 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.117200 0.617200 0.000000 0 -M V30 2 C 1.117200 0.617200 0.000000 0 -M V30 3 C -1.117200 -0.524100 0.000000 0 -M V30 4 C -2.379300 1.255200 0.000000 0 -M V30 5 C 1.117200 -0.524100 0.000000 0 -M V30 6 C 0.006900 -1.255200 0.000000 0 -M V30 7 C 2.472400 -1.010300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -7 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 P 0.120700 0.906900 0.000000 0 -M V30 2 C 0.120700 -0.182800 0.000000 0 -M V30 3 O 0.120700 1.969000 0.000000 0 -M V30 4 O -0.972400 0.906900 0.000000 0 -M V30 5 C -0.820700 -0.710300 0.000000 0 -M V30 6 C -0.820700 -1.803400 0.000000 0 -M V30 7 C -1.731000 -2.334500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -8 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.279300 0.765500 0.000000 0 -M V30 2 C 0.041400 1.486200 0.000000 0 -M V30 3 C 1.279300 -0.672400 0.000000 0 -M V30 4 I 2.510300 1.486200 0.000000 0 -M V30 5 C -1.196600 0.765500 0.000000 0 -M V30 6 N 0.041400 -1.393100 0.000000 0 -M V30 7 C -1.196600 -0.672400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 2 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -9 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.068900 -6.788600 0.000000 0 -M V30 2 O 0.983600 -7.612700 0.000000 0 -M V30 3 C 0.176000 -7.782900 0.000000 0 -M V30 4 C 1.789800 -5.555800 0.000000 0 -M V30 5 C 0.311000 -6.454900 0.000000 0 -M V30 6 C -0.239700 -7.068200 0.000000 0 -M V30 7 C 1.784300 -6.384500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 2 -M V30 3 1 4 7 -M V30 4 2 5 1 -M V30 5 1 6 5 -M V30 6 1 7 1 -M V30 7 2 3 6 -M V30 END BOND -M V30 END CTAB -M END -> -10 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 S 0.106900 0.696600 0.000000 0 -M V30 2 C -0.765500 0.624100 0.000000 0 -M V30 3 C -1.272400 1.331000 0.000000 0 -M V30 4 N -1.137900 -0.158600 0.000000 0 -M V30 5 C -2.144800 1.248300 0.000000 0 -M V30 6 C -2.010300 -0.237900 0.000000 0 -M V30 7 C -2.517200 0.458600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 2 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 2 4 6 -M V30 6 2 5 7 -M V30 7 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -11 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.812500 -1.416700 0.000000 0 -M V30 2 C 5.091700 -2.304200 0.000000 0 -M V30 3 N 3.579200 -2.304200 0.000000 0 -M V30 4 N 3.875000 -1.416700 0.000000 0 -M V30 5 S 4.341700 -2.854200 0.000000 0 -M V30 6 Cl 5.979200 -2.591700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 2 3 4 -M V30 3 1 4 1 -M V30 4 1 5 2 -M V30 5 1 6 2 -M V30 6 1 5 3 -M V30 END BOND -M V30 END CTAB -M END -> -12 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.337500 2.620800 0.000000 0 -M V30 2 N 0.129200 1.633300 0.000000 0 -M V30 3 N -0.883300 1.533300 0.000000 0 -M V30 4 C 1.266700 3.033300 0.000000 0 -M V30 5 C 2.266700 2.912500 0.000000 0 -M V30 6 C 1.854200 3.858300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 4 1 -M V30 3 1 5 4 -M V30 4 1 6 4 -M V30 5 1 3 2 -M V30 6 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -13 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -2.190000 1.330000 0.000000 0 -M V30 2 N -1.380000 -0.080000 0.000000 0 -M V30 3 C -2.190000 0.390000 0.000000 0 -M V30 4 C -1.380000 1.800000 0.000000 0 -M V30 5 C -0.570000 0.390000 0.000000 0 -M V30 6 C -0.570000 1.330000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 3 -M V30 2 1 3 1 -M V30 3 2 4 1 -M V30 4 1 5 2 -M V30 5 1 6 4 -M V30 6 2 6 5 -M V30 END BOND -M V30 END CTAB -M END -> -14 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.320000 -0.550000 0.000000 0 -M V30 2 C 4.330000 0.000000 0.000000 0 -M V30 3 N 4.850000 -0.720000 0.000000 0 -M V30 4 N 4.840000 0.180000 0.000000 0 -M V30 5 O 5.170000 -0.270000 0.000000 0 -M V30 6 C 3.830000 0.280000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 1 -M V30 3 2 4 2 -M V30 4 1 5 3 -M V30 5 1 6 2 -M V30 6 1 4 5 -M V30 END BOND -M V30 END CTAB -M END -> -15 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 11.975900 4.051900 0.000000 0 -M V30 2 C 10.962900 1.297200 0.000000 0 -M V30 3 C 13.321700 1.996500 0.000000 0 -M V30 4 C 10.962900 2.849400 0.000000 0 -M V30 5 C 13.321700 3.487800 0.000000 0 -M V30 6 C 11.955600 1.664900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 4 -M V30 2 1 3 5 -M V30 3 1 4 1 -M V30 4 1 5 1 -M V30 5 1 3 6 -M V30 END BOND -M V30 END CTAB -M END -> -16 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -7.913700 1.750200 0.000000 0 -M V30 2 N -6.690400 0.818700 0.000000 0 -M V30 3 C -9.419200 1.449100 0.000000 0 -M V30 4 N -7.424300 3.180500 0.000000 0 -M V30 5 C -5.438900 1.703200 0.000000 0 -M V30 6 N -5.881100 3.171100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 6 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -17 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 Cr 1.296600 0.510300 0.000000 0 -M V30 2 O -0.189700 0.527600 0.000000 0 -M V30 3 O 2.065500 -0.734500 0.000000 0 -M V30 4 Cr -1.617200 0.500000 0.000000 0 -M V30 5 O -1.617200 1.882800 0.000000 0 -M V30 6 O -2.934500 -0.037900 0.000000 0 CHG=-1 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 2 4 -M V30 4 2 4 5 -M V30 5 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -18 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 B 0.000000 -1.148300 0.000000 0 CHG=-1 -M V30 2 N -1.220700 -0.427600 0.000000 0 -M V30 3 N 1.220700 -0.427600 0.000000 0 CHG=1 -M V30 4 C -1.220700 0.986200 0.000000 0 -M V30 5 C 1.220700 0.986200 0.000000 0 -M V30 6 C 0.000000 1.693100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -19 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 P 0.651700 -1.034500 0.000000 0 -M V30 2 C -0.658600 -1.520700 0.000000 0 -M V30 3 O 0.051700 0.213800 0.000000 0 -M V30 4 O 2.037900 -0.793100 0.000000 0 -M V30 5 C -1.889700 -0.813800 0.000000 0 -M V30 6 C 0.862100 1.389700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 END BOND -M V30 END CTAB -M END -> -20 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.513800 0.741400 0.000000 0 -M V30 2 S -1.813800 0.110300 0.000000 0 -M V30 3 C 0.665500 -0.044800 0.000000 0 -M V30 4 O -2.755200 1.200000 0.000000 0 -M V30 5 O -2.979300 -0.724100 0.000000 0 -M V30 6 N 1.958600 0.565500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 2 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 END BOND -M V30 END CTAB -M END -> -21 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.893100 -0.072400 0.000000 0 -M V30 2 C 0.531000 0.379300 0.000000 0 -M V30 3 C 2.986200 0.848300 0.000000 0 -M V30 4 O -0.531000 -0.548300 0.000000 0 -M V30 5 C -1.893100 -0.072400 0.000000 0 -M V30 6 O -2.165500 1.324100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 4 5 -M V30 5 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -22 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.338000 -1.219900 0.000000 0 -M V30 2 N 1.212600 -1.219900 0.000000 0 -M V30 3 C -1.242000 -0.011000 0.000000 0 -M V30 4 N -0.797400 -2.689700 0.000000 0 -M V30 5 C 1.671900 -2.649300 0.000000 0 -M V30 6 N 0.429900 -3.549500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 6 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -23 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.186200 -1.141400 0.000000 0 -M V30 2 C -1.120700 -0.510300 0.000000 0 -M V30 3 C -3.272400 -0.520700 0.000000 0 -M V30 4 N -0.031000 -1.124100 0.000000 0 -M V30 5 N -1.103400 -3.006900 0.000000 0 -M V30 6 C -0.027600 -2.379300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 2 2 4 -M V30 4 1 4 6 -M V30 5 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -24 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.134500 -0.100000 0.000000 0 -M V30 2 N 2.637900 -0.393100 0.000000 0 -M V30 3 C 2.658600 -0.955200 0.000000 0 -M V30 4 C 2.155200 -1.237900 0.000000 0 -M V30 5 O 2.165500 -1.793100 0.000000 0 -M V30 6 C 1.679300 -2.093100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 3 2 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 6 5 -M V30 END BOND -M V30 END CTAB -M END -> -25 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.006900 1.141400 0.000000 0 -M V30 2 C -0.006900 -0.289700 0.000000 0 -M V30 3 C 1.248300 1.875900 0.000000 0 -M V30 4 C -1.227600 -1.027600 0.000000 0 -M V30 5 O 2.506900 1.196600 0.000000 0 -M V30 6 S -1.206900 -2.458600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -26 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.041400 -1.048300 0.000000 0 -M V30 2 C -1.486200 0.306900 0.000000 0 -M V30 3 C 0.389700 -1.048300 0.000000 0 -M V30 4 S -2.203400 -1.893100 0.000000 0 -M V30 5 N -0.324100 1.155200 0.000000 0 -M V30 6 C 0.831000 0.306900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -27 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 S -0.306900 0.631000 0.000000 0 -M V30 2 C 1.117200 0.689700 0.000000 0 -M V30 3 O -1.710300 0.334500 0.000000 0 -M V30 4 O -0.737900 2.010300 0.000000 0 -M V30 5 O -0.110300 -0.775900 0.000000 0 CHG=-1 -M V30 6 C 1.782800 1.972400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 2 1 4 -M V30 4 1 1 5 -M V30 5 1 2 6 -M V30 END BOND -M V30 END CTAB -M END -> -28 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 P 0.986200 0.286200 0.000000 0 -M V30 2 N 2.255200 1.013800 0.000000 0 -M V30 3 N 1.603400 -1.013800 0.000000 0 -M V30 4 O 0.044800 -0.548300 0.000000 0 -M V30 5 P -1.089700 0.013800 0.000000 0 -M V30 6 N -2.506900 0.372400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -29 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 S 0.465500 -0.441400 0.000000 0 -M V30 2 C -0.955200 -0.441400 0.000000 0 -M V30 3 O 1.875900 -0.441400 0.000000 0 -M V30 4 O 0.465500 -1.948300 0.000000 0 -M V30 5 O 0.465500 0.958600 0.000000 0 -M V30 6 F -2.417200 -0.586200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 1 5 -M V30 5 1 2 6 -M V30 END BOND -M V30 END CTAB -M END -> -30 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.004200 -2.375000 0.000000 0 -M V30 2 C 1.787500 -2.625000 0.000000 0 -M V30 3 C 1.791700 -3.450000 0.000000 0 -M V30 4 N 1.004200 -3.704200 0.000000 0 -M V30 5 C 0.516700 -3.041700 0.000000 0 -M V30 6 N 2.504200 -3.862500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 2 -M V30 3 1 4 5 -M V30 4 2 5 1 -M V30 5 1 6 3 -M V30 6 1 3 4 -M V30 END BOND -M V30 END CTAB -M END -> -31 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.844800 -0.244800 0.000000 0 -M V30 2 C 0.613800 0.506900 0.000000 0 -M V30 3 C -0.631000 -0.210300 0.000000 0 -M V30 4 S -1.879300 0.506900 0.000000 0 CHG=1 -M V30 5 C -1.879300 1.924100 0.000000 0 -M V30 6 C -3.124100 -0.210300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -32 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.927600 -1.382800 0.000000 0 -M V30 2 C -1.779300 -0.893100 0.000000 0 -M V30 3 C -0.075900 -0.893100 0.000000 0 -M V30 4 C 0.775900 -1.382800 0.000000 0 -M V30 5 O 1.631000 -0.893100 0.000000 0 -M V30 6 P 1.631000 0.065500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -33 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 O 0.562100 0.000000 0.000000 0 -M V30 2 C -0.665500 0.724100 0.000000 0 -M V30 3 C 0.562100 -1.448300 0.000000 0 -M V30 4 O -1.906900 0.000000 0.000000 0 -M V30 5 C -0.665500 -2.155200 0.000000 0 -M V30 6 C -1.906900 -1.448300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -34 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.703400 0.696600 0.000000 0 -M V30 2 O 0.672400 1.282800 0.000000 0 -M V30 3 O 1.469000 -0.465500 0.000000 0 -M V30 4 C -0.200000 0.479300 0.000000 0 -M V30 5 C 0.289700 -0.600000 0.000000 0 -M V30 6 C -1.479300 0.924100 0.000000 0 -M V30 7 C -0.837900 -0.955200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 4 5 -M V30 END BOND -M V30 END CTAB -M END -> -35 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.144800 0.482800 0.000000 0 -M V30 2 C -1.469000 0.482800 0.000000 0 -M V30 3 C -0.451700 -1.920700 0.000000 0 -M V30 4 C -1.469000 -1.003400 0.000000 0 -M V30 5 C -2.227600 -0.458600 0.000000 0 -M V30 6 C -2.227600 -1.889700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 3 6 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 6 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -36 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 Si -2.406900 -0.051700 0.000000 0 -M V30 2 C -1.069000 0.431000 0.000000 0 -M V30 3 Cl -3.255200 1.103400 0.000000 0 -M V30 4 Cl -1.793100 -1.351700 0.000000 0 -M V30 5 C 0.031000 -0.458600 0.000000 0 -M V30 6 C 1.379300 0.031000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -37 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.120700 -0.606900 0.000000 0 -M V30 2 C -1.420700 0.144800 0.000000 0 -M V30 3 S 1.365500 -0.379300 0.000000 0 -M V30 4 C -1.231000 -1.620700 0.000000 0 -M V30 5 N -1.420700 1.648300 0.000000 0 -M V30 6 O -2.727600 2.400000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -38 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 B 1.244800 0.027600 0.000000 0 CHG=-1 -M V30 2 C 1.727600 1.382800 0.000000 0 -M V30 3 C 2.075900 -1.131000 0.000000 0 -M V30 4 C 0.586200 -1.234500 0.000000 0 -M V30 5 C -0.175900 0.027600 0.000000 0 -M V30 6 C 1.569000 -2.289700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -39 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 O 1.969000 -0.665500 0.000000 0 -M V30 2 C 0.796600 -1.337900 0.000000 0 -M V30 3 N -0.389700 -0.651700 0.000000 0 -M V30 4 O 0.796600 -2.686200 0.000000 0 -M V30 5 C -0.389700 0.727600 0.000000 0 -M V30 6 C -1.572400 1.413800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 2 2 4 -M V30 4 1 5 3 -M V30 5 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -40 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 Dy -0.413800 0.431000 0.000000 0 -M V30 2 O -1.203400 0.000000 0.000000 0 -M V30 3 O -0.424100 1.344800 0.000000 0 -M V30 4 O 0.358600 -0.041400 0.000000 0 -M V30 5 C -1.972400 0.448300 0.000000 0 -M V30 6 C 0.348300 -0.951700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -41 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.355300 -2.955600 0.000000 0 -M V30 2 N -0.596400 -3.503900 0.000000 0 -M V30 3 C 0.355300 -1.852200 0.000000 0 -M V30 4 C 1.317400 -3.503900 0.000000 0 -M V30 5 C -1.551600 -2.955600 0.000000 0 -M V30 6 C -2.506800 -3.503900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 4 -M V30 2 1 2 5 -M V30 3 1 5 6 -M V30 4 1 1 2 -M V30 5 1 1 3 -M V30 END BOND -M V30 END CTAB -M END -> -42 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.727600 0.389700 0.000000 0 -M V30 2 C 0.634500 0.793100 0.000000 0 -M V30 3 C -1.082800 -0.989700 0.000000 0 -M V30 4 C -1.775900 1.389700 0.000000 0 -M V30 5 C 1.672400 -0.186200 0.000000 0 -M V30 6 O 3.055200 0.193100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -43 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 5.250000 4.647100 0.000000 0 -M V30 2 C 7.500000 3.348100 0.000000 0 -M V30 3 O 6.750000 4.647100 0.000000 0 -M V30 4 C 9.000000 3.348100 0.000000 0 -M V30 5 C 10.299000 4.098100 0.000000 0 -M V30 6 C 10.299000 2.598100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 3 -M V30 2 1 2 3 -M V30 3 1 2 4 -M V30 4 1 4 5 -M V30 5 1 4 6 -M V30 6 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -44 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 Sn 0.003400 2.137900 0.000000 0 -M V30 2 C 0.003400 0.703400 0.000000 0 -M V30 3 C 0.003400 -0.731000 0.000000 0 -M V30 4 Sn 0.003400 -2.158600 0.000000 0 -M V30 5 C -1.306900 -2.793100 0.000000 0 -M V30 6 C -0.144800 -3.489700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 3 2 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -45 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 Si 0.631000 0.362100 0.000000 0 -M V30 2 C -0.624100 -0.355200 0.000000 0 -M V30 3 C 0.048300 1.641400 0.000000 0 -M V30 4 C 1.224100 1.641400 0.000000 0 -M V30 5 C -1.879300 0.362100 0.000000 0 -M V30 6 C -1.872400 1.796600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -46 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.006900 1.727600 0.000000 0 -M V30 2 C 0.203400 1.889700 0.000000 0 -M V30 3 C -0.144800 1.541400 0.000000 0 -M V30 4 C 0.182800 1.548300 0.000000 0 -M V30 5 O -0.393100 1.586200 0.000000 0 -M V30 6 O 0.113800 1.303400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -47 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 4.613400 -3.433700 0.000000 0 -M V30 2 C 3.898300 -3.019400 0.000000 0 -M V30 3 C 3.814900 -2.198700 0.000000 0 -M V30 4 C 3.008500 -2.024300 0.000000 0 -M V30 5 N 2.593500 -2.737300 0.000000 0 -M V30 6 O 3.143400 -3.352300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 3 -M V30 2 1 3 4 -M V30 3 2 4 5 -M V30 4 1 5 6 -M V30 5 1 6 2 -M V30 6 1 1 2 -M V30 END BOND -M V30 END CTAB -M END -> -48 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.596600 -0.093100 0.000000 0 -M V30 2 C -0.741400 -0.565500 0.000000 0 -M V30 3 N 1.041400 1.300000 0.000000 0 -M V30 4 S 1.741400 -0.927600 0.000000 0 -M V30 5 C 2.569000 1.300000 0.000000 0 -M V30 6 N 2.969000 -0.051700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -49 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.106900 0.289700 0.000000 0 -M V30 2 O -1.341400 -0.403400 0.000000 0 -M V30 3 C 1.141400 -0.427600 0.000000 0 -M V30 4 Sb -2.593100 0.296600 0.000000 0 -M V30 5 O 1.141400 -1.862100 0.000000 0 -M V30 6 O 2.386200 0.279300 0.000000 0 CHG=-1 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 3 5 -M V30 5 1 3 6 -M V30 END BOND -M V30 END CTAB -M END -> -50 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.417200 -2.672400 0.000000 0 -M V30 2 C 3.024100 -2.327600 0.000000 0 -M V30 3 N 2.258600 -3.334500 0.000000 0 -M V30 4 N 1.293100 -2.775900 0.000000 0 -M V30 5 C 3.024100 -1.613800 0.000000 0 -M V30 6 O 1.544800 -3.396600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 2 2 5 -M V30 4 1 3 6 -M V30 5 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -51 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.069000 -0.162100 0.000000 0 -M V30 2 C 0.293100 0.213800 0.000000 0 -M V30 3 C -1.517200 -1.510300 0.000000 0 -M V30 4 S -2.227600 0.696600 0.000000 0 -M V30 5 N -2.948300 -1.503400 0.000000 0 -M V30 6 N -3.386200 -0.127600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -52 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -5.000000 -1.916700 0.000000 0 -M V30 2 C -4.550000 -3.337500 0.000000 0 -M V30 3 C -3.533300 -2.250000 0.000000 0 -M V30 4 C -1.012500 -2.800000 0.000000 0 -M V30 5 O 0.437500 -2.354200 0.000000 0 -M V30 6 C -2.120800 -1.800000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 6 -M V30 4 1 5 4 -M V30 5 1 6 3 -M V30 6 1 3 2 -M V30 END BOND -M V30 END CTAB -M END -> -53 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.576000 -0.323300 0.000000 0 -M V30 2 C -1.910100 0.445900 0.000000 0 -M V30 3 O 0.765500 0.445900 0.000000 0 -M V30 4 F -0.130100 -1.806100 0.000000 0 -M V30 5 Br -3.244200 -0.323300 0.000000 0 -M V30 6 C 2.121900 -0.323300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 END BOND -M V30 END CTAB -M END -> -54 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.017200 -0.410300 0.000000 0 -M V30 2 N 1.317200 0.203400 0.000000 0 -M V30 3 C -0.913800 0.651700 0.000000 0 -M V30 4 C 0.762100 -1.644800 0.000000 0 -M V30 5 C 1.410300 1.644800 0.000000 0 -M V30 6 C 2.510300 -0.575900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 END BOND -M V30 END CTAB -M END -> -55 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 Si -1.086200 -0.041400 0.000000 0 CHG=-2 -M V30 2 F -2.186200 -0.955200 0.000000 0 -M V30 3 F -1.324100 1.369000 0.000000 0 -M V30 4 F 0.017200 0.858600 0.000000 0 -M V30 5 F -2.431000 0.455200 0.000000 0 -M V30 6 F 0.255200 -0.551700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 1 6 -M V30 END BOND -M V30 END CTAB -M END -> -56 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.486200 1.431000 0.000000 0 -M V30 2 N -0.486200 -0.003400 0.000000 0 -M V30 3 C 0.858600 -0.472400 0.000000 0 -M V30 4 O 1.948300 0.455200 0.000000 0 -M V30 5 O 1.120700 -1.886200 0.000000 0 -M V30 6 C 3.189700 -0.258600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 2 3 5 -M V30 5 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -57 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.003400 0.072400 0.000000 0 -M V30 2 C -1.037900 1.051700 0.000000 0 -M V30 3 C 1.231000 0.837900 0.000000 0 -M V30 4 C -1.044800 -0.865500 0.000000 0 -M V30 5 C 0.872400 -1.051700 0.000000 0 -M V30 6 C -2.413800 0.634500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 2 6 -M V30 END BOND -M V30 END CTAB -M END -> -58 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 5 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.727600 1.989700 0.000000 0 -M V30 2 N 0.844800 2.503400 0.000000 0 -M V30 3 C 1.727600 0.989700 0.000000 0 -M V30 4 S 0.879300 0.475900 0.000000 0 -M V30 5 C 0.879300 -0.486200 0.000000 0 -M V30 6 S 0.027600 -0.944800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -59 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 6 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.200000 0.095800 0.000000 0 -M V30 2 C -0.170800 1.300000 0.000000 0 -M V30 3 N -0.820800 -0.600000 0.000000 0 -M V30 4 N -1.400000 1.300000 0.000000 0 -M V30 5 N -1.833300 0.145800 0.000000 0 -M V30 6 N -0.820800 -1.800000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 3 1 -M V30 3 1 4 2 -M V30 4 1 5 3 -M V30 5 1 6 3 -M V30 6 2 5 4 -M V30 END BOND -M V30 END CTAB -M END -> -60 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.575900 -0.375900 0.000000 0 -M V30 2 C -0.272400 0.772400 0.000000 0 -M V30 3 C -0.579300 -1.231000 0.000000 0 -M V30 4 C 1.731000 0.465500 0.000000 0 -M V30 5 O 1.424100 -1.537900 0.000000 0 -M V30 6 C -1.689700 0.624100 0.000000 0 -M V30 7 C 0.313800 2.082800 0.000000 0 -M V30 8 C -1.731000 -2.082800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 2 6 -M V30 6 1 2 7 -M V30 7 3 3 8 -M V30 END BOND -M V30 END CTAB -M END -> -61 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.400000 -0.693100 0.000000 0 -M V30 2 C -1.431000 0.348300 0.000000 0 -M V30 3 C -0.400000 -2.110300 0.000000 0 -M V30 4 C -2.848300 0.348300 0.000000 0 -M V30 5 C -1.431000 -3.089700 0.000000 0 -M V30 6 C -3.851700 -0.672400 0.000000 0 -M V30 7 C -2.848300 -3.089700 0.000000 0 -M V30 8 C -3.851700 -2.089700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -62 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.916700 -3.137500 0.000000 0 -M V30 2 O 4.250000 -3.620800 0.000000 0 -M V30 3 C 4.662500 -2.350000 0.000000 0 -M V30 4 C 5.700000 -3.395800 0.000000 0 -M V30 5 C 3.579200 -3.137500 0.000000 0 -M V30 6 C 3.837500 -2.350000 0.000000 0 -M V30 7 N 5.866700 -4.200000 0.000000 0 -M V30 8 S 5.461900 -4.922200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 5 6 -M V30 2 1 2 1 -M V30 3 1 7 8 -M V30 4 2 3 1 -M V30 5 1 4 1 -M V30 6 1 5 2 -M V30 7 1 6 3 -M V30 8 1 7 4 -M V30 END BOND -M V30 END CTAB -M END -> -63 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.072400 1.175900 0.000000 0 -M V30 2 C 0.058600 2.472400 0.000000 0 -M V30 3 C 0.331000 0.424100 0.000000 0 -M V30 4 C 1.231000 2.889700 0.000000 0 -M V30 5 C 0.320700 1.813800 0.000000 0 -M V30 6 C 1.558600 -0.062100 0.000000 0 -M V30 7 N 2.337900 3.434500 0.000000 0 -M V30 8 N 3.579300 1.613800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 4 -M V30 3 1 3 5 -M V30 4 1 3 6 -M V30 5 1 4 7 -M V30 6 1 4 5 -M V30 7 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -64 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.537900 -0.434500 0.000000 0 -M V30 2 C 0.555200 -1.355200 0.000000 0 -M V30 3 C -0.293100 0.955200 0.000000 0 -M V30 4 N -1.900000 -0.913800 0.000000 0 -M V30 5 C 1.896600 -0.858600 0.000000 0 -M V30 6 C 1.041400 1.451700 0.000000 0 -M V30 7 C 2.141400 0.541400 0.000000 0 -M V30 8 Cl 1.286200 2.882800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 2 5 7 -M V30 7 1 6 8 -M V30 8 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -65 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.565500 0.186200 0.000000 0 -M V30 2 C -1.565500 1.200000 0.000000 0 -M V30 3 S -0.679300 -0.327600 0.000000 0 -M V30 4 S -2.448300 -0.320700 0.000000 0 -M V30 5 C 0.203400 1.200000 0.000000 0 -M V30 6 C -3.331000 1.200000 0.000000 0 -M V30 7 C 0.203400 0.186200 0.000000 0 -M V30 8 C -3.331000 0.186200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 2 5 7 -M V30 9 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -66 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.662100 -0.300000 0.000000 0 -M V30 2 C 0.575900 -1.031000 0.000000 0 -M V30 3 C -1.900000 -1.031000 0.000000 0 -M V30 4 C -0.662100 1.127600 0.000000 0 -M V30 5 C 1.813800 -0.317200 0.000000 0 -M V30 6 C -3.137900 -0.300000 0.000000 0 -M V30 7 O 3.034500 -1.031000 0.000000 0 -M V30 8 O 1.813800 1.127600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 2 5 8 -M V30 END BOND -M V30 END CTAB -M END -> -67 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.134500 -0.296600 0.000000 0 -M V30 2 C -2.389700 0.424100 0.000000 0 -M V30 3 N -1.134500 -1.737900 0.000000 0 -M V30 4 S -2.389700 1.848300 0.000000 0 -M V30 5 O 0.100000 -2.458600 0.000000 0 -M V30 6 C 1.337900 -1.755200 0.000000 0 -M V30 7 N 2.572400 -2.475900 0.000000 0 -M V30 8 C 3.806900 -1.772400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -68 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.903400 -0.524100 0.000000 0 -M V30 2 O 1.217200 0.658600 0.000000 0 -M V30 3 C 1.203400 -1.710300 0.000000 0 -M V30 4 C -0.144800 0.658600 0.000000 0 -M V30 5 C -0.158600 -1.710300 0.000000 0 -M V30 6 C -0.848300 -0.524100 0.000000 0 -M V30 7 N -2.196600 -0.524100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 6 7 -M V30 7 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -69 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -1.347400 -1.050300 0.000000 0 -M V30 2 C 0.000000 -0.281100 0.000000 0 -M V30 3 C -2.694800 -0.281100 0.000000 0 -M V30 4 N 1.320900 -1.050300 0.000000 0 -M V30 5 C -4.042200 -1.050300 0.000000 0 -M V30 6 C 2.668300 -0.281100 0.000000 0 -M V30 7 C -5.363100 -0.281100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -70 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -8.559500 -0.363000 0.000000 0 -M V30 2 C -7.773000 2.601000 0.000000 0 -M V30 3 N -6.019000 -2.087000 0.000000 0 -M V30 4 N -3.569000 -0.151000 0.000000 0 -M V30 5 C -4.658000 2.722000 0.000000 0 -M V30 6 C -0.484000 -0.937500 0.000000 0 -M V30 7 O 1.663500 1.240000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 1 -M V30 3 1 4 3 -M V30 4 2 5 2 -M V30 5 1 6 4 -M V30 6 1 7 6 -M V30 7 1 5 4 -M V30 END BOND -M V30 END CTAB -M END -> -71 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.086200 0.944800 0.000000 0 -M V30 2 C -1.041400 0.269000 0.000000 0 -M V30 3 S -3.189700 0.379300 0.000000 0 -M V30 4 C 0.051700 0.813800 0.000000 0 -M V30 5 O -2.537900 -0.655200 0.000000 0 CHG=-1 -M V30 6 C 1.089700 0.158600 0.000000 0 -M V30 7 C 2.200000 0.696600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -72 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -6.509500 1.277500 0.000000 0 -M V30 2 N -11.255000 -2.312000 0.000000 0 -M V30 3 N -12.471500 1.277500 0.000000 0 -M V30 4 C -7.574000 -2.190000 0.000000 0 -M V30 5 C -9.460000 3.528500 0.000000 0 -M V30 6 C -2.950500 2.281500 0.000000 0 -M V30 7 N -0.304000 -0.274000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 4 -M V30 2 1 3 5 -M V30 3 1 4 1 -M V30 4 2 5 1 -M V30 5 1 6 1 -M V30 6 2 7 6 -M V30 7 1 3 2 -M V30 END BOND -M V30 END CTAB -M END -> -73 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.531000 2.100000 0.000000 0 -M V30 2 N -1.172400 3.010300 0.000000 0 -M V30 3 S -1.172400 1.120700 0.000000 0 -M V30 4 C -2.320700 2.672400 0.000000 0 -M V30 5 C -2.320700 1.489700 0.000000 0 -M V30 6 C -3.331000 3.244800 0.000000 0 -M V30 7 C -4.344800 2.672400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 2 6 7 -M V30 7 2 4 5 -M V30 END BOND -M V30 END CTAB -M END -> -74 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.213800 0.679300 0.000000 0 -M V30 2 C -1.251700 0.679300 0.000000 0 -M V30 3 C 0.662100 -0.689700 0.000000 0 -M V30 4 C 1.055200 1.803400 0.000000 0 -M V30 5 C -1.672400 -0.689700 0.000000 0 -M V30 6 S -0.469000 -1.541400 0.000000 0 -M V30 7 S 2.006900 -1.120700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 2 3 7 -M V30 7 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -75 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.620700 -0.024100 0.000000 0 -M V30 2 C -0.041400 1.286200 0.000000 0 -M V30 3 N 0.224100 -1.179300 0.000000 0 -M V30 4 O -2.044800 -0.179300 0.000000 0 -M V30 5 C 1.379300 1.441400 0.000000 0 -M V30 6 N 1.651700 -1.024100 0.000000 0 -M V30 7 C 2.227600 0.286200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 2 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -76 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.968500 -0.257800 0.000000 0 -M V30 2 C 0.718500 0.552200 0.000000 0 -M V30 3 O 1.751600 -0.514700 0.000000 0 -M V30 4 N 0.315600 -0.727500 0.000000 0 -M V30 5 C -0.104400 0.552200 0.000000 0 -M V30 6 C 1.768100 -1.330700 0.000000 0 -M V30 7 N -0.364800 -0.230900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 4 -M V30 2 1 2 5 -M V30 3 1 3 6 -M V30 4 1 4 7 -M V30 5 2 5 7 -M V30 6 2 1 2 -M V30 7 1 1 3 -M V30 END BOND -M V30 END CTAB -M END -> -77 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 V -0.717200 -0.451700 0.000000 0 -M V30 2 V 0.713800 -0.451700 0.000000 0 -M V30 3 O -0.717200 -1.889700 0.000000 0 -M V30 4 O -0.717200 0.972400 0.000000 0 CHG=-1 -M V30 5 O 0.713800 -1.889700 0.000000 0 -M V30 6 O 2.144800 -0.451700 0.000000 0 CHG=-1 -M V30 7 O 0.713800 0.972400 0.000000 0 CHG=-1 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 2 7 -M V30 END BOND -M V30 END CTAB -M END -> -78 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.186200 -0.186200 0.000000 0 -M V30 2 C 1.544800 0.241400 0.000000 0 -M V30 3 C 0.186200 -1.627600 0.000000 0 -M V30 4 N -0.972400 0.675900 0.000000 0 CHG=1 -M V30 5 N 2.369000 -0.886200 0.000000 0 -M V30 6 N 1.544800 -2.062100 0.000000 0 -M V30 7 C -0.972400 -2.479300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 3 7 -M V30 7 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -79 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.237900 -0.737900 0.000000 0 -M V30 2 C -0.869000 -1.417200 0.000000 0 -M V30 3 C 1.341400 -1.417200 0.000000 0 -M V30 4 C -2.120700 -1.017200 0.000000 0 -M V30 5 C 1.341400 -2.679300 0.000000 0 -M V30 6 O 0.237900 -3.355200 0.000000 0 -M V30 7 N -2.869000 -2.079300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 2 4 -M V30 4 2 3 5 -M V30 5 1 4 7 -M V30 6 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -80 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.800000 -1.413800 0.000000 0 -M V30 2 C -0.341400 -0.058600 0.000000 0 -M V30 3 O 0.365500 -2.237900 0.000000 0 -M V30 4 C -1.572400 -2.606900 0.000000 0 -M V30 5 C -1.706900 -0.293100 0.000000 0 -M V30 6 C 1.072400 -0.058600 0.000000 0 -M V30 7 C 1.534500 -1.382800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -81 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.227600 0.965500 0.000000 0 -M V30 2 B 0.324100 1.062100 0.000000 0 -M V30 3 B -0.062100 1.920700 0.000000 0 -M V30 4 C -1.500000 -0.558600 0.000000 0 -M V30 5 B -1.424100 0.934500 0.000000 0 -M V30 6 B -0.155200 -0.744800 0.000000 0 -M V30 7 B -0.727600 0.410300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -82 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.194000 -0.810200 0.000000 0 -M V30 2 C 1.922700 -1.204700 0.000000 0 -M V30 3 S 1.356600 0.000900 0.000000 0 -M V30 4 C 0.456400 -1.147100 0.000000 0 -M V30 5 C 2.528600 -0.657900 0.000000 0 -M V30 6 C 2.186200 0.095600 0.000000 0 -M V30 7 O 0.387900 -1.964600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 4 -M V30 2 1 2 5 -M V30 3 1 3 6 -M V30 4 2 5 6 -M V30 5 2 1 2 -M V30 6 1 1 3 -M V30 7 1 4 7 -M V30 END BOND -M V30 END CTAB -M END -> -83 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.165500 -1.265500 0.000000 0 -M V30 2 S 1.337900 -0.944800 0.000000 0 -M V30 3 S 0.037900 1.293100 0.000000 0 -M V30 4 C 0.603400 1.627600 0.000000 0 -M V30 5 C 0.227600 1.617200 0.000000 0 -M V30 6 C 0.793100 1.969000 0.000000 0 -M V30 7 N 0.603400 2.293100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 5 -M V30 4 1 4 6 -M V30 5 1 6 7 -M V30 6 1 4 5 -M V30 END BOND -M V30 END CTAB -M END -> -84 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.751700 0.024100 0.000000 0 -M V30 2 N -1.469000 -0.386200 0.000000 0 -M V30 3 C -0.034500 -0.386200 0.000000 0 -M V30 4 C -2.186200 0.024100 0.000000 0 -M V30 5 S 0.689700 0.024100 0.000000 0 -M V30 6 O -2.906900 -0.386200 0.000000 0 -M V30 7 C 1.410300 -0.386200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -85 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -1.186200 -2.096600 0.000000 0 -M V30 2 C -0.489700 -1.589700 0.000000 0 -M V30 3 C -0.927600 -2.924100 0.000000 0 -M V30 4 C -2.062100 -2.096600 0.000000 0 -M V30 5 C 0.206900 -2.100000 0.000000 0 -M V30 6 N -0.062100 -2.927600 0.000000 0 -M V30 7 S -1.627600 -3.434500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 2 3 6 -M V30 6 1 3 7 -M V30 7 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -86 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.262100 0.034500 0.000000 0 -M V30 2 C 0.434500 1.282800 0.000000 0 -M V30 3 C 0.434500 -1.186200 0.000000 0 -M V30 4 Si -1.703400 0.034500 0.000000 0 -M V30 5 C 1.882800 1.282800 0.000000 0 -M V30 6 C 1.882800 -1.186200 0.000000 0 -M V30 7 C 2.603400 0.034500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 2 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -87 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.258600 -0.210300 0.000000 0 -M V30 2 C 2.258600 0.617200 0.000000 0 -M V30 3 C 1.537900 -0.624100 0.000000 0 -M V30 4 S 3.031000 -0.462100 0.000000 0 -M V30 5 N 3.031000 0.869000 0.000000 0 -M V30 6 N 0.817200 -0.210300 0.000000 0 -M V30 7 C 3.517200 0.220700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 2 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -88 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.906900 -1.262100 0.000000 0 -M V30 2 O 1.720700 -1.958600 0.000000 0 -M V30 3 C 2.906900 0.103400 0.000000 0 -M V30 4 C 0.537900 -1.262100 0.000000 0 -M V30 5 N 1.720700 0.796600 0.000000 0 -M V30 6 C 0.537900 0.103400 0.000000 0 -M V30 7 C -0.637900 -1.948300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 2 4 6 -M V30 6 1 4 7 -M V30 7 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -89 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.924100 1.003400 0.000000 0 -M V30 2 C -0.924100 1.986200 0.000000 0 -M V30 3 N -1.779300 0.506900 0.000000 0 -M V30 4 O -1.772400 2.479300 0.000000 0 -M V30 5 N -0.072400 2.465500 0.000000 0 -M V30 6 C -2.624100 1.003400 0.000000 0 -M V30 7 C -2.624100 1.986200 0.000000 0 -M V30 8 C 0.758600 1.979300 0.000000 0 -M V30 9 C 0.758600 1.003400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 2 8 9 -M V30 9 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -90 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.703400 1.179300 0.000000 0 -M V30 2 C -1.365500 2.317200 0.000000 0 -M V30 3 C -1.358600 0.044800 0.000000 0 -M V30 4 N 0.603400 1.179300 0.000000 0 -M V30 5 N -2.675900 2.317200 0.000000 0 -M V30 6 C -0.693100 -1.086200 0.000000 0 -M V30 7 C -1.344800 -2.213800 0.000000 0 -M V30 8 O -2.655200 -2.213800 0.000000 0 -M V30 9 O -0.686200 -3.355200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -91 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 8.707500 0.283000 0.000000 0 -M V30 2 N 10.090500 -2.357500 0.000000 0 -M V30 3 C 10.845000 2.357500 0.000000 0 -M V30 4 N 12.982500 -1.917500 0.000000 0 -M V30 5 C 13.422500 1.037500 0.000000 0 -M V30 6 N 5.752500 0.660000 0.000000 0 -M V30 7 C 3.929500 -1.729000 0.000000 0 -M V30 8 O 5.061000 -4.495000 0.000000 0 -M V30 9 C 16.000000 2.420500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 3 1 -M V30 3 1 4 2 -M V30 4 2 5 3 -M V30 5 1 6 1 -M V30 6 1 7 6 -M V30 7 2 8 7 -M V30 8 1 9 5 -M V30 9 1 5 4 -M V30 END BOND -M V30 END CTAB -M END -> -92 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.034500 0.362100 0.000000 0 -M V30 2 C -1.217200 -0.334500 0.000000 0 -M V30 3 C 1.272400 -0.317200 0.000000 0 -M V30 4 C -2.486200 0.289700 0.000000 0 -M V30 5 C 2.524100 0.379300 0.000000 0 -M V30 6 F -2.486200 1.613800 0.000000 0 -M V30 7 O 2.524100 1.803400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 2 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -93 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 6.016700 -9.729200 0.000000 0 -M V30 2 C 6.654200 -9.200000 0.000000 0 -M V30 3 C 6.337500 -8.429200 0.000000 0 -M V30 4 N 7.437500 -9.479200 0.000000 0 -M V30 5 N 7.579200 -10.300000 0.000000 0 -M V30 6 N 5.316700 -9.287500 0.000000 0 -M V30 7 C 5.504200 -8.491700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 2 -M V30 3 1 4 2 -M V30 4 1 6 1 -M V30 5 2 7 6 -M V30 6 1 7 3 -M V30 7 2 5 4 -M V30 END BOND -M V30 END CTAB -M END -> -94 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.480000 1.430000 0.000000 0 -M V30 2 C 0.050000 0.100000 0.000000 0 -M V30 3 O -0.650000 2.240000 0.000000 0 -M V30 4 C -1.350000 0.100000 0.000000 0 -M V30 5 C -1.780000 1.430000 0.000000 0 -M V30 6 N 0.740000 -1.100000 0.000000 0 -M V30 7 C -2.980000 2.120000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 2 -M V30 4 1 5 3 -M V30 5 1 2 6 -M V30 6 1 5 7 -M V30 7 1 5 4 -M V30 END BOND -M V30 END CTAB -M END -> -95 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.495600 -1.006600 0.000000 0 -M V30 2 C 1.770300 -1.426600 0.000000 0 -M V30 3 C 3.217400 -1.426600 0.000000 0 -M V30 4 C 2.758300 -0.259400 0.000000 0 -M V30 5 Br 2.268400 -0.259400 0.000000 0 -M V30 6 F 1.552000 -2.234200 0.000000 0 -M V30 7 O 2.242900 0.342800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 3 -M V30 2 1 1 4 -M V30 3 1 1 5 -M V30 4 1 2 6 -M V30 5 1 1 2 -M V30 6 1 4 7 -M V30 END BOND -M V30 END CTAB -M END -> -96 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 Sn 0.655200 1.510300 0.000000 0 -M V30 2 C -0.641400 2.103400 0.000000 0 -M V30 3 C -0.027600 0.262100 0.000000 0 -M V30 4 C 1.837900 0.710300 0.000000 0 -M V30 5 C -1.796600 1.251700 0.000000 0 -M V30 6 C 1.744800 -0.706900 0.000000 0 -M V30 7 C 2.931000 -1.510300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 6 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -97 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.179300 -1.137900 0.000000 0 -M V30 2 N 1.282800 -0.496600 0.000000 0 -M V30 3 C 1.282800 1.579300 0.000000 0 -M V30 4 C 2.369000 -1.131000 0.000000 0 -M V30 5 N 2.379300 -2.406900 0.000000 0 -M V30 6 C 0.641400 2.675900 0.000000 0 -M V30 7 C 1.906900 2.675900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 2 4 -M V30 4 1 3 6 -M V30 5 1 3 7 -M V30 6 2 4 5 -M V30 7 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -98 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.748300 -0.872400 0.000000 0 -M V30 2 C -0.669000 -0.872400 0.000000 0 -M V30 3 C 1.641400 0.231000 0.000000 0 -M V30 4 C -1.562100 0.231000 0.000000 0 -M V30 5 O 1.327600 1.637900 0.000000 0 -M V30 6 O -1.248300 1.637900 0.000000 0 -M V30 7 Ni 0.024100 2.262100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -99 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.910300 -1.234500 0.000000 0 -M V30 2 O 1.179300 -0.469000 0.000000 0 -M V30 3 O 1.341400 -1.896600 0.000000 0 -M V30 4 C 1.910300 -0.193100 0.000000 0 -M V30 5 C 2.141400 -1.972400 0.000000 0 -M V30 6 C 2.579300 -0.606900 0.000000 0 -M V30 7 C 2.675900 -1.406900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -100 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.741400 -1.403400 0.000000 0 -M V30 2 N 0.741400 0.055200 0.000000 0 -M V30 3 N -0.510300 -2.100000 0.000000 0 -M V30 4 C -0.510300 0.772400 0.000000 0 -M V30 5 C -1.762100 -1.403400 0.000000 0 -M V30 6 C -1.762100 0.055200 0.000000 0 -M V30 7 Cl -0.510300 2.196600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 2 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 4 7 -M V30 7 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -101 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.324100 -1.879300 0.000000 0 -M V30 2 N 1.117200 -1.431000 0.000000 0 -M V30 3 S 0.134500 -2.762100 0.000000 0 -M V30 4 C 1.144800 -0.517200 0.000000 0 -M V30 5 C 2.000000 -1.727600 0.000000 0 -M V30 6 N 2.000000 -0.258600 0.000000 0 -M V30 7 N 2.520700 -1.017200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 2 4 6 -M V30 6 2 5 7 -M V30 7 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -102 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 2.000000 0.910000 0.000000 0 -M V30 2 C 1.270000 1.070000 0.000000 0 -M V30 3 C 0.030000 0.700000 0.000000 0 -M V30 4 O 0.780000 0.530000 0.000000 0 -M V30 5 C 2.300000 0.250000 0.000000 0 -M V30 6 C 2.550000 1.420000 0.000000 0 -M V30 7 C 3.220000 1.030000 0.000000 0 -M V30 8 C 3.070000 0.300000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 4 -M V30 3 1 4 3 -M V30 4 1 5 1 -M V30 5 1 6 1 -M V30 6 1 7 6 -M V30 7 1 8 5 -M V30 8 1 8 7 -M V30 END BOND -M V30 END CTAB -M END -> -103 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.544800 -0.627600 0.000000 0 -M V30 2 S -0.634500 -1.310300 0.000000 0 -M V30 3 C 0.541400 0.731000 0.000000 0 -M V30 4 C -1.813800 -0.627600 0.000000 0 -M V30 5 C -1.813800 0.731000 0.000000 0 -M V30 6 S -2.996600 -1.310300 0.000000 0 -M V30 7 C -4.175900 0.731000 0.000000 0 -M V30 8 C -4.175900 -0.627600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 4 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -104 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.617200 -2.179300 0.000000 0 -M V30 2 N -1.634500 -1.579300 0.000000 0 -M V30 3 C -1.634500 -0.413800 0.000000 0 -M V30 4 C -0.662100 0.303400 0.000000 0 -M V30 5 C -2.627600 0.272400 0.000000 0 -M V30 6 C -1.041400 1.424100 0.000000 0 -M V30 7 C -2.269000 1.424100 0.000000 0 -M V30 8 C -0.310300 2.355200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 3 2 -M V30 3 1 3 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -105 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.082800 0.958600 0.000000 0 -M V30 2 C -0.972400 0.337900 0.000000 0 -M V30 3 C 1.144800 0.337900 0.000000 0 -M V30 4 N -2.044800 0.958600 0.000000 0 -M V30 5 O 2.217200 0.958600 0.000000 0 -M V30 6 O 1.144800 -0.879300 0.000000 0 -M V30 7 C -3.106900 0.327600 0.000000 0 -M V30 8 O -3.106900 -0.879300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -106 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.724100 -0.293100 0.000000 0 -M V30 2 C -0.513800 0.403400 0.000000 0 -M V30 3 C -2.955200 0.386200 0.000000 0 -M V30 4 Br -1.724100 -1.696600 0.000000 0 -M V30 5 C 0.689700 -0.275900 0.000000 0 -M V30 6 O -2.962100 1.789700 0.000000 0 -M V30 7 C 1.903400 0.424100 0.000000 0 -M V30 8 C 3.120700 -0.255200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 5 7 -M V30 7 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -107 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.886200 0.041400 0.000000 0 -M V30 2 C -2.665500 0.486200 0.000000 0 -M V30 3 N -1.886200 -0.855200 0.000000 0 -M V30 4 C -1.089700 0.500000 0.000000 0 -M V30 5 N -3.431000 0.041400 0.000000 0 -M V30 6 N -2.665500 -1.303400 0.000000 0 -M V30 7 C -0.310300 0.041400 0.000000 0 -M V30 8 C -3.431000 -0.855200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -108 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.686200 -0.048300 0.000000 0 -M V30 2 C 0.300000 -0.606900 0.000000 0 -M V30 3 C -0.696600 1.069000 0.000000 0 -M V30 4 C -1.665500 -0.617200 0.000000 0 -M V30 5 C 0.320700 -1.703400 0.000000 0 -M V30 6 C 1.706900 0.031000 0.000000 0 -M V30 7 C -1.682800 1.613800 0.000000 0 -M V30 8 C -2.651700 -0.048300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 3 1 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 END BOND -M V30 END CTAB -M END -> -109 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.196600 -0.679300 0.000000 0 -M V30 2 C -2.441400 -1.393100 0.000000 0 -M V30 3 C -1.196600 0.755200 0.000000 0 -M V30 4 N 0.041400 -1.393100 0.000000 0 -M V30 5 F -2.810300 -0.010300 0.000000 0 -M V30 6 C 0.037900 1.475900 0.000000 0 -M V30 7 C 1.289700 -0.672400 0.000000 0 -M V30 8 C 1.282800 0.762100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 2 6 8 -M V30 8 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -110 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.086200 -0.500000 0.000000 0 -M V30 2 N 0.086200 0.731000 0.000000 0 -M V30 3 N -0.982800 -1.120700 0.000000 0 -M V30 4 C 1.141400 -1.113800 0.000000 0 -M V30 5 C -2.037900 0.737900 0.000000 0 -M V30 6 C -2.041400 -0.493100 0.000000 0 -M V30 7 C 2.213800 -0.500000 0.000000 0 -M V30 8 Cl -3.106900 -1.100000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 6 8 -M V30 8 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -111 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 S -0.003400 -1.437900 0.000000 0 -M V30 2 C 1.089700 -0.824100 0.000000 0 -M V30 3 C 2.172400 -1.455200 0.000000 0 -M V30 4 C 3.255200 -0.824100 0.000000 0 -M V30 5 C 2.172400 -2.710300 0.000000 0 -M V30 6 C 4.344800 -1.455200 0.000000 0 -M V30 7 N 3.255200 -3.331000 0.000000 0 -M V30 8 C 4.344800 -2.710300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 2 3 5 -M V30 5 2 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -112 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 Si -0.096600 0.544800 0.000000 0 -M V30 2 O -0.737900 0.172400 0.000000 0 -M V30 3 O -0.096600 1.272400 0.000000 0 -M V30 4 O 0.662100 0.448300 0.000000 0 -M V30 5 C 0.672400 1.669000 0.000000 0 -M V30 6 C 0.672400 2.437900 0.000000 0 -M V30 7 C 1.313800 2.769000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 3 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -113 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 Ge -0.017200 0.206900 0.000000 0 -M V30 2 C -1.072400 1.186200 0.000000 0 -M V30 3 C -1.082800 -0.737900 0.000000 0 -M V30 4 C 1.175900 0.972400 0.000000 0 -M V30 5 Cl 0.831000 -0.924100 0.000000 0 -M V30 6 C -2.448300 0.758600 0.000000 0 -M V30 7 C -2.458600 -0.296600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 END BOND -M V30 END CTAB -M END -> -114 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.180000 0.930000 0.000000 0 -M V30 2 C -0.580000 -0.390000 0.000000 0 -M V30 3 C -1.340000 0.930000 0.000000 0 -M V30 4 O 1.490000 1.690000 0.000000 0 -M V30 5 Cl 4.120000 -1.350000 0.000000 0 -M V30 6 C 2.810000 -0.570000 0.000000 0 -M V30 7 C 2.810000 0.930000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 1 -M V30 4 1 5 6 -M V30 5 1 6 7 -M V30 6 1 7 4 -M V30 7 1 2 3 -M V30 END BOND -M V30 END CTAB -M END -> -115 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -1.933300 -4.066700 0.000000 0 -M V30 2 C -1.245800 -2.729200 0.000000 0 -M V30 3 C -2.312500 -1.654200 0.000000 0 -M V30 4 O -3.412500 -3.816700 0.000000 0 -M V30 5 C -3.650000 -2.350000 0.000000 0 -M V30 6 C 0.266700 -2.500000 0.000000 0 -M V30 7 O 1.216700 -3.687500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 3 2 -M V30 3 1 4 1 -M V30 4 1 5 4 -M V30 5 1 6 2 -M V30 6 1 7 6 -M V30 7 2 5 3 -M V30 END BOND -M V30 END CTAB -M END -> -116 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.737900 -0.189700 0.000000 0 -M V30 2 C 0.562100 0.562100 0.000000 0 -M V30 3 C 0.069000 -1.603400 0.000000 0 -M V30 4 C -1.582800 -1.641400 0.000000 0 -M V30 5 C 1.865500 -0.189700 0.000000 0 -M V30 6 F -2.886200 -1.127600 0.000000 0 -M V30 7 F 3.424100 -0.134500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -117 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 3.693400 0.548100 0.000000 0 -M V30 2 C 4.327200 -0.862600 0.000000 0 -M V30 3 N 2.192200 0.867400 0.000000 0 -M V30 4 O 4.465500 1.901500 0.000000 0 -M V30 5 C 5.828400 -1.177100 0.000000 0 -M V30 6 C 2.025400 2.401900 0.000000 0 -M V30 7 N 3.431300 3.040500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 2 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -118 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.316700 3.645800 0.000000 0 -M V30 2 C 0.425000 1.395800 0.000000 0 -M V30 3 C 8.212500 1.395800 0.000000 0 -M V30 4 C -3.470800 3.645800 0.000000 0 -M V30 5 O -3.462500 8.129200 0.000000 0 -M V30 6 Cl 0.425000 -3.100000 0.000000 0 -M V30 7 O 12.104200 3.645800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 2 -M V30 4 2 5 4 -M V30 5 1 6 2 -M V30 6 1 7 3 -M V30 END BOND -M V30 END CTAB -M END -> -119 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 7 6 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.072400 0.220700 0.000000 0 -M V30 2 C -3.137900 -0.372400 0.000000 0 -M V30 3 O -1.013800 -0.372400 0.000000 0 -M V30 4 O -2.072400 1.448300 0.000000 0 -M V30 5 O -4.189700 0.220700 0.000000 0 -M V30 6 Zn 0.027600 0.220700 0.000000 0 -M V30 7 O 1.082800 -0.372400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -120 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 7.481000 -5.937100 0.000000 0 -M V30 2 C 6.828000 -6.445100 0.000000 0 -M V30 3 C 6.942100 -7.262600 0.000000 0 -M V30 4 C 7.708600 -7.573300 0.000000 0 -M V30 5 C 8.361700 -7.060200 0.000000 0 -M V30 6 C 8.244300 -6.244500 0.000000 0 -M V30 7 C 7.366700 -5.120100 0.000000 0 -M V30 8 O 6.601900 -4.810600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 2 3 4 -M V30 3 1 1 7 -M V30 4 1 4 5 -M V30 5 1 7 8 -M V30 6 1 2 3 -M V30 7 2 5 6 -M V30 8 1 6 1 -M V30 END BOND -M V30 END CTAB -M END -> -121 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.586200 0.351700 0.000000 0 -M V30 2 S -0.627600 0.351700 0.000000 0 -M V30 3 N -1.872400 0.351700 0.000000 0 -M V30 4 C -2.469000 -0.700000 0.000000 0 -M V30 5 C -2.469000 1.410300 0.000000 0 -M V30 6 C -3.710300 -0.700000 0.000000 0 -M V30 7 C -3.710300 1.410300 0.000000 0 -M V30 8 C -4.303400 0.351700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -122 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.158600 -0.141400 0.000000 0 -M V30 2 S 0.120700 -1.131000 0.000000 0 -M V30 3 C 2.531000 -0.555200 0.000000 0 -M V30 4 C -1.248300 -0.727600 0.000000 0 -M V30 5 N -1.693100 0.617200 0.000000 0 -M V30 6 S -2.420700 -1.589700 0.000000 0 -M V30 7 C -3.158600 0.617200 0.000000 0 -M V30 8 C -3.593100 -0.758600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 4 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -123 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.220700 -0.686200 0.000000 0 -M V30 2 C 0.220700 0.686200 0.000000 0 -M V30 3 C -1.703400 -0.686200 0.000000 0 -M V30 4 S 0.972400 -1.503400 0.000000 0 -M V30 5 C 1.703400 0.686200 0.000000 0 -M V30 6 S -0.972400 1.503400 0.000000 0 -M V30 7 C -2.103400 0.686200 0.000000 0 -M V30 8 C 2.103400 -0.686200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 2 5 8 -M V30 9 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -124 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.724200 -0.004300 0.000000 0 -M V30 2 C -1.394200 -0.774100 0.000000 0 -M V30 3 C -2.724200 1.548100 0.000000 0 -M V30 4 N -4.062800 -0.774100 0.000000 0 -M V30 5 N -0.068400 0.004300 0.000000 0 -M V30 6 C -4.062800 2.313700 0.000000 0 -M V30 7 C -5.388600 -0.004300 0.000000 0 -M V30 8 C -5.388600 1.548100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 1 6 8 -M V30 8 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -125 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.727600 0.558600 0.000000 0 -M V30 2 C 0.058600 0.013800 0.000000 0 -M V30 3 N -1.524100 0.034500 0.000000 0 -M V30 4 N -0.727600 1.375900 0.000000 0 -M V30 5 C 0.886200 0.548300 0.000000 0 -M V30 6 C -2.331000 0.558600 0.000000 0 -M V30 7 N -2.331000 1.375900 0.000000 0 -M V30 8 N 1.717200 0.013800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 2 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -126 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.648300 -0.934500 0.000000 0 -M V30 2 C -0.610300 -0.186200 0.000000 0 -M V30 3 C 0.648300 -2.355200 0.000000 0 -M V30 4 B 1.913800 -0.186200 0.000000 0 -M V30 5 C -1.834500 -0.934500 0.000000 0 -M V30 6 O -0.610300 1.234500 0.000000 0 -M V30 7 C -0.575900 -3.069000 0.000000 0 -M V30 8 C -1.793100 -2.355200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 5 8 -M V30 8 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -127 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.265700 2.563700 0.000000 0 -M V30 2 C 2.882800 3.260500 0.000000 0 -M V30 3 C 4.265700 0.893600 0.000000 0 -M V30 4 O 4.287000 4.095500 0.000000 0 -M V30 5 O 5.701800 1.962700 0.000000 0 -M V30 6 C 3.010500 0.196800 0.000000 0 -M V30 7 C 5.802900 4.499800 0.000000 0 -M V30 8 C 6.701800 3.217900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -128 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -3.432200 0.815800 0.000000 0 -M V30 2 C -4.735600 0.053100 0.000000 0 -M V30 3 N -4.735600 -1.482000 0.000000 0 -M V30 4 C -6.082400 -2.235100 0.000000 0 -M V30 5 C -3.432200 -2.254400 0.000000 0 -M V30 6 C -6.082400 -3.784600 0.000000 0 -M V30 7 C -3.432200 -3.784600 0.000000 0 -M V30 8 S -4.735600 -4.552200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -129 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 1.017200 0.069000 0.000000 0 -M V30 2 C -0.231000 0.806900 0.000000 0 -M V30 3 C 2.275900 0.806900 0.000000 0 -M V30 4 C 1.324100 -1.337900 0.000000 0 -M V30 5 C -1.482800 0.069000 0.000000 0 -M V30 6 C 3.344800 -0.203400 0.000000 0 -M V30 7 S 2.765500 -1.486200 0.000000 0 -M V30 8 C -2.731000 0.806900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 2 5 8 -M V30 8 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -130 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.479300 -0.337900 0.000000 0 -M V30 2 N -1.589700 -0.541400 0.000000 0 -M V30 3 C -2.837900 0.496600 0.000000 0 -M V30 4 N -3.165500 -0.937900 0.000000 0 -M V30 5 C -0.969000 0.124100 0.000000 0 -M V30 6 C -3.744800 0.413800 0.000000 0 -M V30 7 O -3.948300 -0.465500 0.000000 0 -M V30 8 C -0.079300 -0.075900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -131 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 P -0.020700 -0.855200 0.000000 0 -M V30 2 C -1.027600 -0.762100 0.000000 0 -M V30 3 O 1.041400 -0.841400 0.000000 0 -M V30 4 C -1.596600 -1.700000 0.000000 0 -M V30 5 C 1.603400 -1.786200 0.000000 0 -M V30 6 N -2.689700 -1.686200 0.000000 0 -M V30 7 C -3.241400 -2.631000 0.000000 0 -M V30 8 C -4.344800 -2.617200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -132 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.165500 1.593100 0.000000 0 -M V30 2 C -2.165500 0.341400 0.000000 0 -M V30 3 C -1.075900 2.227600 0.000000 0 -M V30 4 N -3.258600 2.241400 0.000000 0 -M V30 5 C -1.096600 -0.272400 0.000000 0 -M V30 6 O 0.006900 1.634500 0.000000 0 -M V30 7 C -1.096600 -1.510300 0.000000 0 -M V30 8 C -0.024100 -2.137900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -133 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 13.004200 2.395800 0.000000 0 -M V30 2 S 13.166700 0.858300 0.000000 0 -M V30 3 C 14.366700 3.008300 0.000000 0 -M V30 4 C 11.629200 3.133300 0.000000 0 -M V30 5 C 15.412500 1.845800 0.000000 0 -M V30 6 C 14.662500 0.525000 0.000000 0 -M V30 7 O 10.316700 2.345800 0.000000 0 -M V30 8 C 10.316700 0.770800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 1 -M V30 3 1 4 1 -M V30 4 1 5 3 -M V30 5 1 6 2 -M V30 6 1 7 4 -M V30 7 1 8 7 -M V30 8 2 6 5 -M V30 END BOND -M V30 END CTAB -M END -> -134 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.803400 -0.731000 0.000000 0 -M V30 2 C -2.210300 0.582800 0.000000 0 -M V30 3 N -0.510300 -1.155200 0.000000 0 -M V30 4 O -2.896600 -1.503400 0.000000 0 -M V30 5 C -3.565500 0.582800 0.000000 0 -M V30 6 C 0.493100 -0.255200 0.000000 0 -M V30 7 N -3.982800 -0.706900 0.000000 0 -M V30 8 C 1.786200 -0.686200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 6 8 -M V30 8 2 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -135 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.365500 -0.510300 0.000000 0 -M V30 2 P -1.982800 -0.862100 0.000000 0 -M V30 3 C -2.700000 -0.982800 0.000000 0 -M V30 4 C -3.172400 -0.444800 0.000000 0 -M V30 5 C -2.931000 -1.658600 0.000000 0 -M V30 6 C -3.896600 -0.582800 0.000000 0 -M V30 7 C -3.655200 -1.810300 0.000000 0 -M V30 8 C -4.134500 -1.255200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 2 3 5 -M V30 5 2 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -136 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 P -1.496600 0.448300 0.000000 0 CHG=1 -M V30 2 C -1.037900 -0.558600 0.000000 0 -M V30 3 C -0.562100 0.975900 0.000000 0 -M V30 4 C -2.413800 0.975900 0.000000 0 -M V30 5 C 0.037900 -0.651700 0.000000 0 -M V30 6 C -3.379300 0.448300 0.000000 0 -M V30 7 C 0.482800 -1.637900 0.000000 0 -M V30 8 C -0.134500 -2.544800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -137 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.665500 -0.203400 0.000000 0 -M V30 2 C -1.789700 0.503400 0.000000 0 -M V30 3 C -3.762100 0.089700 0.000000 0 -M V30 4 N -0.731000 0.182800 0.000000 0 -M V30 5 N -1.827600 1.634500 0.000000 0 -M V30 6 C -4.344800 -0.862100 0.000000 0 -M V30 7 C -0.079300 1.103400 0.000000 0 -M V30 8 N -0.796600 2.020700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 2 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -138 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.234500 -0.589700 0.000000 0 -M V30 2 C -1.234500 0.582800 0.000000 0 -M V30 3 S -0.220700 -1.175900 0.000000 0 -M V30 4 S -2.344800 -0.948300 0.000000 0 -M V30 5 S -0.220700 1.165500 0.000000 0 -M V30 6 S -2.344800 0.941400 0.000000 0 -M V30 7 C 0.800000 -0.589700 0.000000 0 -M V30 8 C -3.017200 0.006900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -139 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.524100 -0.669000 0.000000 0 -M V30 2 C -0.524100 0.755200 0.000000 0 -M V30 3 C 0.703400 -1.386200 0.000000 0 -M V30 4 Br -1.769000 -1.386200 0.000000 0 -M V30 5 C 0.703400 1.479300 0.000000 0 -M V30 6 I -1.769000 1.479300 0.000000 0 -M V30 7 C 1.951700 -0.669000 0.000000 0 -M V30 8 C 1.951700 0.755200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 2 5 8 -M V30 8 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -140 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.131000 0.634500 0.000000 0 -M V30 2 C 0.082800 1.362100 0.000000 0 -M V30 3 C -1.131000 -0.817200 0.000000 0 -M V30 4 C -2.396600 1.313800 0.000000 0 -M V30 5 C 1.331000 0.665500 0.000000 0 -M V30 6 O 0.082800 2.813800 0.000000 0 -M V30 7 N 0.100000 -1.513800 0.000000 0 -M V30 8 S 2.548300 1.393100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 5 8 -M V30 END BOND -M V30 END CTAB -M END -> -141 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.424100 -0.451700 0.000000 0 -M V30 2 C -3.100000 -0.800000 0.000000 0 -M V30 3 N -1.758600 -0.855200 0.000000 0 -M V30 4 C -2.424100 0.306900 0.000000 0 -M V30 5 S -3.200000 -1.575900 0.000000 0 -M V30 6 C -1.082800 -0.451700 0.000000 0 -M V30 7 C -1.758600 0.682800 0.000000 0 -M V30 8 C -1.082800 0.306900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 2 6 8 -M V30 8 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -142 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.713800 1.306900 0.000000 0 -M V30 2 O -0.175900 0.427600 0.000000 0 -M V30 3 C -1.413800 0.751700 0.000000 0 -M V30 4 C -2.279300 -0.103400 0.000000 0 -M V30 5 C -3.506900 0.220700 0.000000 0 -M V30 6 S -2.234500 -1.355200 0.000000 0 -M V30 7 N -4.186200 -0.820700 0.000000 0 -M V30 8 C -3.413800 -1.786200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 2 4 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -143 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -2.480000 -0.980000 0.000000 0 -M V30 2 C -2.710000 -0.270000 0.000000 0 -M V30 3 N -3.100000 -1.430000 0.000000 0 -M V30 4 C -2.260000 0.320000 0.000000 0 -M V30 5 C -2.490000 1.030000 0.000000 0 -M V30 6 C -1.490000 0.320000 0.000000 0 -M V30 7 C -1.260000 1.050000 0.000000 0 -M V30 8 C -1.870000 1.480000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 4 2 -M V30 3 1 5 4 -M V30 4 1 6 4 -M V30 5 1 7 6 -M V30 6 1 8 5 -M V30 7 1 3 1 -M V30 8 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -144 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 15.096000 -10.687000 0.000000 0 -M V30 2 C 12.729500 -12.406500 0.000000 0 -M V30 3 C 15.655000 -12.406500 0.000000 0 -M V30 4 C 13.288500 -10.687000 0.000000 0 -M V30 5 S 14.192500 -13.469500 0.000000 0 -M V30 6 O 13.288500 -14.916500 0.000000 0 -M V30 7 O 15.277500 -15.007000 0.000000 0 -M V30 8 N 16.000000 -9.121000 0.000000 0 -M V30 9 O 15.096000 -7.555000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 4 -M V30 2 1 5 2 -M V30 3 1 3 1 -M V30 4 1 1 4 -M V30 5 1 5 3 -M V30 6 2 5 6 -M V30 7 2 5 7 -M V30 8 2 1 8 -M V30 9 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -145 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.893100 -0.444800 0.000000 0 -M V30 2 O 1.327600 0.106900 0.000000 0 -M V30 3 Sb 2.041400 0.000000 0.000000 0 -M V30 4 O 2.306900 -0.662100 0.000000 0 -M V30 5 O 2.386200 0.631000 0.000000 0 -M V30 6 C 3.010300 -0.862100 0.000000 0 -M V30 7 C 3.086200 0.731000 0.000000 0 -M V30 8 C 3.593100 -0.434500 0.000000 0 -M V30 9 C 3.631000 0.255200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -146 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.424100 0.272400 0.000000 0 -M V30 2 C 0.482800 -0.289700 0.000000 0 -M V30 3 N -1.386200 -0.213800 0.000000 0 -M V30 4 N 1.448300 0.203400 0.000000 0 -M V30 5 C -2.313800 0.358600 0.000000 0 -M V30 6 C 2.369000 -0.365500 0.000000 0 -M V30 7 C -3.282800 -0.131000 0.000000 0 -M V30 8 C 3.344800 0.120700 0.000000 0 -M V30 9 O 3.389700 1.210300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -147 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.120800 -1.150000 0.000000 0 -M V30 2 C 0.516700 -0.766700 0.000000 0 -M V30 3 C -0.770800 -0.766700 0.000000 0 -M V30 4 N -0.770800 -0.016700 0.000000 0 -M V30 5 N 0.516700 -0.016700 0.000000 0 -M V30 6 C -0.120800 0.350000 0.000000 0 -M V30 7 N 0.516700 1.483300 0.000000 0 -M V30 8 N -0.120800 1.100000 0.000000 0 -M V30 9 C 0.516700 2.233300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 1 -M V30 3 1 4 3 -M V30 4 2 5 2 -M V30 5 2 6 4 -M V30 6 1 7 8 -M V30 7 1 8 6 -M V30 8 2 9 7 -M V30 9 1 6 5 -M V30 END BOND -M V30 END CTAB -M END -> -148 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.703400 -0.924100 0.000000 0 -M V30 2 N -0.517200 -1.627600 0.000000 0 -M V30 3 C 1.913800 -1.627600 0.000000 0 -M V30 4 C 0.710300 0.472400 0.000000 0 -M V30 5 C -1.724100 -0.924100 0.000000 0 -M V30 6 O 3.131000 -0.924100 0.000000 0 -M V30 7 C -0.496600 1.172400 0.000000 0 -M V30 8 C -2.944800 -1.634500 0.000000 0 -M V30 9 C 4.344800 -1.634500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 END BOND -M V30 END CTAB -M END -> -149 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 3.117200 0.000000 0.000000 0 -M V30 2 C 1.844800 -0.679300 0.000000 0 -M V30 3 C 4.344800 -0.734500 0.000000 0 -M V30 4 C 0.624100 0.044800 0.000000 0 -M V30 5 O -0.624100 -0.624100 0.000000 0 -M V30 6 C -1.844800 0.100000 0.000000 0 -M V30 7 C -3.117200 -0.565500 0.000000 0 -M V30 8 C -4.344800 0.155200 0.000000 0 -M V30 9 C -3.144800 -2.003400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -150 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.900000 -0.124100 0.000000 0 -M V30 2 C 2.900000 -0.962100 0.000000 0 -M V30 3 C 3.624100 0.293100 0.000000 0 -M V30 4 Se 2.175900 0.293100 0.000000 0 -M V30 5 C 3.624100 -1.379300 0.000000 0 -M V30 6 C 4.344800 -0.124100 0.000000 0 -M V30 7 C 1.451700 -0.124100 0.000000 0 -M V30 8 C 4.344800 -0.962100 0.000000 0 -M V30 9 C 0.727600 0.296600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 2 5 8 -M V30 8 1 7 9 -M V30 9 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -151 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 3.017200 -0.227600 0.000000 0 -M V30 2 N 1.779300 0.486200 0.000000 0 -M V30 3 N 4.241400 0.486200 0.000000 0 -M V30 4 O 3.017200 -1.637900 0.000000 0 -M V30 5 C 0.555200 -0.227600 0.000000 0 -M V30 6 C -0.672400 0.486200 0.000000 0 -M V30 7 C -1.910300 -0.227600 0.000000 0 -M V30 8 N -3.117200 0.469000 0.000000 0 -M V30 9 C -3.117200 1.900000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -152 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.300000 2.070000 0.000000 0 -M V30 2 C -0.010000 1.150000 0.000000 0 -M V30 3 C -0.300000 0.490000 0.000000 0 -M V30 4 C -1.730000 0.450000 0.000000 0 -M V30 5 C -1.080000 0.210000 0.000000 0 -M V30 6 C -1.220000 0.900000 0.000000 0 -M V30 7 C 1.090000 0.660000 0.000000 0 -M V30 8 C 0.750000 0.080000 0.000000 0 -M V30 9 C 0.420000 2.700000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 5 -M V30 4 1 5 3 -M V30 5 1 6 2 -M V30 6 1 7 2 -M V30 7 1 8 3 -M V30 8 1 9 1 -M V30 9 1 7 8 -M V30 10 1 6 4 -M V30 END BOND -M V30 END CTAB -M END -> -153 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.355200 1.755200 0.000000 0 -M V30 2 C -2.120700 2.031000 0.000000 0 -M V30 3 C -2.755200 1.531000 0.000000 0 -M V30 4 O -2.613800 0.755200 0.000000 0 -M V30 5 S -3.234500 0.220700 0.000000 0 -M V30 6 O -2.724100 -0.403400 0.000000 0 -M V30 7 C -1.948300 -0.279300 0.000000 0 -M V30 8 C -1.444800 -0.882800 0.000000 0 -M V30 9 C -0.627600 -0.737900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -154 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.082800 -0.120700 0.000000 0 -M V30 2 C -1.086200 0.675900 0.000000 0 -M V30 3 C 1.237900 0.765500 0.000000 0 -M V30 4 C 0.082800 -1.555200 0.000000 0 -M V30 5 C -0.658600 2.103400 0.000000 0 -M V30 6 Cl -2.434500 0.189700 0.000000 0 -M V30 7 N 0.751700 2.103400 0.000000 0 -M V30 8 C 2.617200 0.410300 0.000000 0 -M V30 9 C -1.131000 -2.269000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -155 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.251700 0.227600 0.000000 0 -M V30 2 C 0.727600 0.582800 0.000000 0 -M V30 3 C -1.082800 0.886200 0.000000 0 -M V30 4 C 1.555200 -0.082800 0.000000 0 -M V30 5 C -2.103400 0.513800 0.000000 0 -M V30 6 N 2.565500 0.300000 0.000000 0 -M V30 7 C 3.400000 -0.386200 0.000000 0 -M V30 8 C 2.744800 1.337900 0.000000 0 -M V30 9 C 1.910300 2.024100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 6 7 -M V30 7 1 6 8 -M V30 8 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -156 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.131000 0.234500 0.000000 0 -M V30 2 C -0.696600 0.717200 0.000000 0 -M V30 3 C 0.131000 -0.720700 0.000000 0 -M V30 4 N -1.572400 0.327600 0.000000 0 -M V30 5 N -0.796600 1.669000 0.000000 0 -M V30 6 N 1.789700 0.241400 0.000000 0 -M V30 7 N 0.958600 -1.203400 0.000000 0 -M V30 8 N -2.213800 1.041400 0.000000 0 -M V30 9 N -1.731000 1.869000 0.000000 0 -M V30 10 C 1.793100 -0.717200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 2 5 -M V30 5 2 3 7 -M V30 6 1 4 8 -M V30 7 1 5 9 -M V30 8 2 6 10 -M V30 9 1 7 10 -M V30 10 2 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -157 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.034500 -0.224100 0.000000 0 -M V30 2 N -2.034500 0.662100 0.000000 0 -M V30 3 N -2.810300 -0.665500 0.000000 0 -M V30 4 S -1.265500 -0.665500 0.000000 0 -M V30 5 C -2.810300 1.106900 0.000000 0 -M V30 6 C -3.579300 -0.224100 0.000000 0 -M V30 7 C -0.500000 -0.224100 0.000000 0 -M V30 8 C -3.579300 0.662100 0.000000 0 -M V30 9 C 0.269000 -0.665500 0.000000 0 -M V30 10 N 1.034500 -0.224100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 9 10 -M V30 10 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -158 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.137900 0.020700 0.000000 0 -M V30 2 C -0.906900 0.627600 0.000000 0 -M V30 3 C 0.137900 -1.193100 0.000000 0 -M V30 4 N 1.193100 0.627600 0.000000 0 -M V30 5 C -1.951700 0.020700 0.000000 0 -M V30 6 N -0.906900 -1.796600 0.000000 0 -M V30 7 C 2.241400 0.020700 0.000000 0 -M V30 8 C -1.951700 -1.193100 0.000000 0 -M V30 9 C -3.003400 0.627600 0.000000 0 -M V30 10 F -3.203400 1.879300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 5 9 -M V30 9 1 9 10 -M V30 10 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -159 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.072400 1.700000 0.000000 0 -M V30 2 C 0.055200 0.596600 0.000000 0 -M V30 3 C -0.917200 2.237900 0.000000 0 -M V30 4 N 1.031000 0.024100 0.000000 0 -M V30 5 C -0.917200 0.024100 0.000000 0 -M V30 6 C -1.851700 1.700000 0.000000 0 -M V30 7 C 1.031000 -1.079300 0.000000 0 -M V30 8 C -1.851700 0.596600 0.000000 0 -M V30 9 O 1.982800 -1.634500 0.000000 0 -M V30 10 O 0.089700 -1.617200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 2 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 2 7 10 -M V30 10 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -160 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.682800 -1.275900 0.000000 0 -M V30 2 S -0.524100 -1.275900 0.000000 0 -M V30 3 C -1.131000 -2.324100 0.000000 0 -M V30 4 C -2.337900 -2.324100 0.000000 0 -M V30 5 N -2.944800 -1.275900 0.000000 0 -M V30 6 C -2.337900 -0.231000 0.000000 0 -M V30 7 S -2.831000 0.875900 0.000000 0 -M V30 8 N -1.134500 -0.103400 0.000000 0 -M V30 9 C -1.934500 1.686200 0.000000 0 -M V30 10 N -0.886200 1.075900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 2 6 8 -M V30 8 1 7 9 -M V30 9 1 8 10 -M V30 10 2 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -161 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.666700 -3.666700 0.000000 0 -M V30 2 C 1.091700 -4.379200 0.000000 0 -M V30 3 C -0.145800 -3.887500 0.000000 0 -M V30 4 S 0.541700 -5.004200 0.000000 0 -M V30 5 C -0.220800 -4.700000 0.000000 0 -M V30 6 C 1.066700 -2.941700 0.000000 0 -M V30 7 N 1.916700 -4.366700 0.000000 0 -M V30 8 N 1.904200 -2.929200 0.000000 0 -M V30 9 S 0.641700 -2.241700 0.000000 0 -M V30 10 C 2.316700 -3.654200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 3 1 -M V30 3 1 4 2 -M V30 4 2 5 3 -M V30 5 1 6 1 -M V30 6 1 7 2 -M V30 7 2 8 6 -M V30 8 1 9 6 -M V30 9 1 10 8 -M V30 10 1 5 4 -M V30 11 2 7 10 -M V30 END BOND -M V30 END CTAB -M END -> -162 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.317200 0.000000 0.000000 0 -M V30 2 C 0.182800 1.331000 0.000000 0 -M V30 3 C 0.565500 -1.106900 0.000000 0 -M V30 4 S -1.734500 -0.213800 0.000000 0 -M V30 5 C 1.610300 1.544800 0.000000 0 -M V30 6 C 1.986200 -0.893100 0.000000 0 -M V30 7 O -3.096600 -0.669000 0.000000 0 -M V30 8 O -1.396600 -1.603400 0.000000 0 -M V30 9 C 2.510300 0.427600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 2 6 9 -M V30 END BOND -M V30 END CTAB -M END -> -163 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.775900 0.062100 0.000000 0 -M V30 2 C 1.203400 1.400000 0.000000 0 -M V30 3 C -0.658600 0.062100 0.000000 0 -M V30 4 C 1.496600 -1.179300 0.000000 0 -M V30 5 O 0.027600 2.265500 0.000000 0 -M V30 6 O 2.562100 1.837900 0.000000 0 -M V30 7 C -1.117200 1.417200 0.000000 0 -M V30 8 C 0.775900 -2.431000 0.000000 0 -M V30 9 O -2.479300 1.841400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 2 7 9 -M V30 9 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -164 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.334500 -1.531000 0.000000 0 -M V30 2 C 0.455200 -1.082800 0.000000 0 -M V30 3 C -0.786200 -2.303400 0.000000 0 -M V30 4 N 1.234500 -1.537900 0.000000 0 -M V30 5 O 2.017200 -1.096600 0.000000 0 -M V30 6 C 2.796600 -1.551700 0.000000 0 -M V30 7 C 3.569000 -1.103400 0.000000 0 -M V30 8 C 4.344800 -0.655200 0.000000 0 -M V30 9 C 3.569000 -0.203400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 2 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 7 9 -M V30 9 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -165 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.460000 0.590000 0.000000 0 -M V30 2 C -0.170000 -0.480000 0.000000 0 -M V30 3 N -0.170000 0.240000 0.000000 0 -M V30 4 N 0.460000 1.680000 0.000000 0 -M V30 5 C -0.170000 2.050000 0.000000 0 -M V30 6 O -0.790000 -0.800000 0.000000 0 -M V30 7 O -0.810000 1.680000 0.000000 0 -M V30 8 C -0.800000 -1.550000 0.000000 0 -M V30 9 C -1.440000 2.050000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 3 -M V30 2 1 3 1 -M V30 3 2 4 1 -M V30 4 1 5 4 -M V30 5 1 6 2 -M V30 6 1 7 5 -M V30 7 1 8 6 -M V30 8 1 9 7 -M V30 END BOND -M V30 END CTAB -M END -> -166 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.103400 0.762100 0.000000 0 -M V30 2 C -1.341400 0.048300 0.000000 0 -M V30 3 C 1.134500 0.048300 0.000000 0 -M V30 4 O -0.103400 2.196600 0.000000 0 -M V30 5 C -1.341400 -1.386200 0.000000 0 -M V30 6 Cl -2.586200 0.762100 0.000000 0 -M V30 7 C 1.134500 -1.386200 0.000000 0 -M V30 8 N -0.103400 -2.100000 0.000000 0 -M V30 9 Cl -2.586200 -2.100000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 2 5 8 -M V30 8 1 5 9 -M V30 9 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -167 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.637900 0.031000 0.000000 0 -M V30 2 C -1.513800 0.013800 0.000000 0 -M V30 3 N -3.003400 -1.031000 0.000000 0 -M V30 4 C -1.165500 -1.006900 0.000000 0 -M V30 5 N -2.089700 -1.751700 0.000000 0 -M V30 6 O -0.082800 -1.272400 0.000000 0 -M V30 7 C 0.682800 -0.465500 0.000000 0 -M V30 8 N 1.758600 -0.710300 0.000000 0 -M V30 9 C 2.506900 0.086200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 2 4 5 -M V30 END BOND -M V30 END CTAB -M END -> -168 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -9.718500 3.239500 0.000000 0 -M V30 2 N -12.648000 5.465000 0.000000 0 CHG=1 -M V30 3 N -3.972000 1.436500 0.000000 0 -M V30 4 C -6.253500 4.394500 0.000000 0 -M V30 5 N -6.169000 -1.662000 0.000000 0 -M V30 6 C -9.718500 -0.535000 0.000000 0 -M V30 7 C 1.746500 4.619500 0.000000 0 -M V30 8 C -0.281500 1.436500 0.000000 0 -M V30 9 O -16.000000 4.000000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 4 -M V30 3 2 4 1 -M V30 4 2 5 6 -M V30 5 1 6 1 -M V30 6 1 7 8 -M V30 7 1 8 3 -M V30 8 2 9 2 -M V30 9 1 3 5 -M V30 END BOND -M V30 END CTAB -M END -> -169 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.589700 -1.110300 0.000000 0 -M V30 2 N 0.258600 0.013800 0.000000 0 -M V30 3 N 1.679300 -1.469000 0.000000 0 -M V30 4 C -0.931000 0.013800 0.000000 0 -M V30 5 N 2.534500 -0.700000 0.000000 0 -M V30 6 C 3.634500 -0.955200 0.000000 0 -M V30 7 C 2.417200 0.437900 0.000000 0 -M V30 8 N 4.262100 0.041400 0.000000 0 -M V30 9 N 3.493100 0.910300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 5 6 -M V30 6 1 5 7 -M V30 7 2 6 8 -M V30 8 2 7 9 -M V30 9 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -170 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.034500 1.175900 0.000000 0 -M V30 2 C 1.158600 1.872400 0.000000 0 -M V30 3 C -1.244800 1.872400 0.000000 0 -M V30 4 C 2.365500 1.193100 0.000000 0 -M V30 5 C -2.451700 1.175900 0.000000 0 -M V30 6 C 2.348300 -0.213800 0.000000 0 -M V30 7 C -2.451700 -0.248300 0.000000 0 -M V30 8 C 2.348300 -1.872400 0.000000 0 -M V30 9 Cl -1.227600 -0.958600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 2 4 6 -M V30 6 1 5 7 -M V30 7 2 6 8 -M V30 8 1 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -171 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 3.220700 -1.362100 0.000000 0 -M V30 2 O 2.213800 -0.527600 0.000000 0 -M V30 3 C 1.089700 -1.200000 0.000000 0 -M V30 4 N -0.041400 -0.565500 0.000000 0 -M V30 5 C -0.093100 0.789700 0.000000 0 -M V30 6 C 1.137900 1.224100 0.000000 0 -M V30 7 C -1.172400 1.524100 0.000000 0 -M V30 8 S -2.224100 0.751700 0.000000 0 -M V30 9 C -3.303400 1.489700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 5 4 -M V30 5 1 5 6 -M V30 6 1 5 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -172 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -1.380000 0.450000 0.000000 0 -M V30 2 C -0.450000 0.450000 0.000000 0 -M V30 3 C -1.720000 -0.410000 0.000000 0 -M V30 4 N -0.160000 -0.490000 0.000000 0 -M V30 5 S -0.940000 -1.020000 0.000000 0 -M V30 6 C -2.640000 -0.610000 0.000000 0 -M V30 7 C -3.290000 0.070000 0.000000 0 -M V30 8 C -2.900000 -1.500000 0.000000 0 -M V30 9 C -3.840000 -1.750000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 1 -M V30 3 2 4 2 -M V30 4 1 5 3 -M V30 5 1 6 3 -M V30 6 1 7 6 -M V30 7 2 8 6 -M V30 8 1 9 8 -M V30 9 1 4 5 -M V30 END BOND -M V30 END CTAB -M END -> -173 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.682800 -1.875900 0.000000 0 -M V30 2 C -1.062100 -2.231000 0.000000 0 -M V30 3 C -2.220700 -2.362100 0.000000 0 -M V30 4 N -0.431000 -1.875900 0.000000 0 -M V30 5 S -1.213800 -2.937900 0.000000 0 -M V30 6 C -1.937900 -3.010300 0.000000 0 -M V30 7 C -0.431000 -1.148300 0.000000 0 -M V30 8 S 0.196600 -0.782800 0.000000 0 -M V30 9 C 0.182800 -0.055200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 2 4 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -174 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.386200 0.037900 0.000000 0 -M V30 2 C -0.306900 -1.186200 0.000000 0 -M V30 3 N -0.306900 1.282800 0.000000 0 -M V30 4 C 1.824100 0.037900 0.000000 0 -M V30 5 C -1.741400 -1.186200 0.000000 0 -M V30 6 C -1.741400 1.282800 0.000000 0 -M V30 7 O 2.551700 1.282800 0.000000 0 -M V30 8 O -2.472400 0.037900 0.000000 0 -M V30 9 O -2.472400 -2.437900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 2 5 9 -M V30 END BOND -M V30 END CTAB -M END -> -175 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.000000 -0.086200 0.000000 0 -M V30 2 C -1.072400 0.531000 0.000000 0 -M V30 3 N 1.072400 0.531000 0.000000 0 -M V30 4 N -1.072400 -1.951700 0.000000 0 -M V30 5 N 1.072400 -1.951700 0.000000 0 -M V30 6 C -2.144800 -0.100000 0.000000 0 -M V30 7 C 2.144800 -0.100000 0.000000 0 -M V30 8 C -2.144800 -1.320700 0.000000 0 -M V30 9 C 2.144800 -1.320700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 2 6 -M V30 4 2 3 7 -M V30 5 2 4 8 -M V30 6 2 5 9 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -176 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.575900 -0.020700 0.000000 0 -M V30 2 C 1.944800 -0.437900 0.000000 0 -M V30 3 S -0.603400 -0.875900 0.000000 0 -M V30 4 C 0.137900 1.331000 0.000000 0 -M V30 5 N 2.989700 0.531000 0.000000 0 -M V30 6 O 2.248300 -1.824100 0.000000 0 -M V30 7 C -1.762100 -0.058600 0.000000 0 -M V30 8 C -1.324100 1.331000 0.000000 0 -M V30 9 C -3.093100 -0.531000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 7 9 -M V30 9 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -177 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.458600 0.282800 0.000000 0 -M V30 2 O -1.234500 -0.444800 0.000000 0 -M V30 3 C -3.700000 -0.417200 0.000000 0 -M V30 4 Cu 0.010300 0.237900 0.000000 0 -M V30 5 O 1.234500 -0.489700 0.000000 0 -M V30 6 C 2.462100 0.237900 0.000000 0 -M V30 7 C 3.700000 -0.469000 0.000000 0 -M V30 8 O 2.469000 1.689700 0.000000 0 -M V30 9 C 3.686200 -1.906900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 2 6 8 -M V30 8 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -178 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.651700 -0.089700 0.000000 0 -M V30 2 C -1.813800 -0.810300 0.000000 0 -M V30 3 C 0.486200 -0.779300 0.000000 0 -M V30 4 C -3.000000 -0.110300 0.000000 0 -M V30 5 C 1.717200 -0.120700 0.000000 0 -M V30 6 C -3.000000 1.237900 0.000000 0 -M V30 7 O 2.889700 -0.800000 0.000000 0 -M V30 8 O 1.717200 1.248300 0.000000 0 -M V30 9 C -1.813800 1.927600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 2 5 8 -M V30 8 1 6 9 -M V30 END BOND -M V30 END CTAB -M END -> -179 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.686200 0.469000 0.000000 0 -M V30 2 C -1.337900 -0.437900 0.000000 0 -M V30 3 N -1.351700 1.365500 0.000000 0 -M V30 4 N -2.406900 -0.100000 0.000000 0 -M V30 5 C -2.413800 1.013800 0.000000 0 -M V30 6 C -3.379300 -0.662100 0.000000 0 -M V30 7 N -3.379300 1.586200 0.000000 0 -M V30 8 C -4.344800 -0.106900 0.000000 0 -M V30 9 C -4.344800 1.013800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 2 6 8 -M V30 8 2 7 9 -M V30 9 1 4 5 -M V30 10 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -180 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.127600 0.575900 0.000000 0 -M V30 2 Si -2.444800 -0.006900 0.000000 0 -M V30 3 C 0.024100 -0.251700 0.000000 0 -M V30 4 C -1.731000 -1.258600 0.000000 0 -M V30 5 Cl -3.355200 1.089700 0.000000 0 -M V30 6 Cl -3.637900 -0.820700 0.000000 0 -M V30 7 C 1.331000 0.324100 0.000000 0 -M V30 8 C 2.506900 -0.493100 0.000000 0 -M V30 9 C 3.820700 0.072400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -181 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.558600 -1.058600 0.000000 0 -M V30 2 C 0.558600 0.093100 0.000000 0 -M V30 3 C 1.531000 -1.679300 0.000000 0 -M V30 4 C -0.493100 -1.627600 0.000000 0 -M V30 5 C 1.617200 0.675900 0.000000 0 -M V30 6 C 1.531000 -2.841400 0.000000 0 -M V30 7 C -1.482800 -0.979300 0.000000 0 -M V30 8 C 1.617200 1.844800 0.000000 0 -M V30 9 N 0.610300 2.424100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -182 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.127600 -0.013800 0.000000 0 -M V30 2 O -1.482800 1.100000 0.000000 0 -M V30 3 C -3.417200 -0.013800 0.000000 0 -M V30 4 N -1.734500 -1.244800 0.000000 0 -M V30 5 C -0.189700 1.100000 0.000000 0 -M V30 6 N -3.806900 -1.244800 0.000000 0 -M V30 7 O -2.772400 -1.979300 0.000000 0 -M V30 8 C 0.472400 2.213800 0.000000 0 -M V30 9 C 1.765500 2.213800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 2 5 8 -M V30 8 1 8 9 -M V30 9 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -183 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.227600 1.300000 0.000000 0 -M V30 2 Si -1.472400 2.027600 0.000000 0 -M V30 3 C -0.227600 -0.137900 0.000000 0 -M V30 4 Cl -2.720700 1.300000 0.000000 0 -M V30 5 Cl -0.972400 3.303400 0.000000 0 -M V30 6 C 1.010300 -0.865500 0.000000 0 -M V30 7 Si 1.010300 -2.310300 0.000000 0 -M V30 8 Cl -0.234500 -3.027600 0.000000 0 -M V30 9 Cl 2.513800 -2.527600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -184 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.000000 0.989700 0.000000 0 -M V30 2 O 1.231000 1.703400 0.000000 0 -M V30 3 O -1.231000 1.703400 0.000000 0 -M V30 4 C 0.000000 -0.434500 0.000000 0 -M V30 5 C 2.479300 0.989700 0.000000 0 -M V30 6 C -2.479300 0.989700 0.000000 0 -M V30 7 C 0.000000 -1.872400 0.000000 0 -M V30 8 C 3.727600 1.703400 0.000000 0 -M V30 9 C -3.727600 1.703400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 3 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 END BOND -M V30 END CTAB -M END -> -185 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 S 2.466700 2.375000 0.000000 0 -M V30 2 C 3.091700 2.229200 0.000000 0 -M V30 3 N 3.541700 2.708300 0.000000 0 -M V30 4 C 3.283300 1.616700 0.000000 0 -M V30 5 C 3.912500 1.470800 0.000000 0 -M V30 6 O 2.279200 2.987500 0.000000 0 -M V30 7 C 4.170800 2.562500 0.000000 0 -M V30 8 C 4.358300 1.937500 0.000000 0 -M V30 9 Cl 4.995800 1.791700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 2 -M V30 3 1 4 2 -M V30 4 2 5 4 -M V30 5 2 6 1 -M V30 6 1 7 3 -M V30 7 1 8 5 -M V30 8 1 9 8 -M V30 9 2 8 7 -M V30 END BOND -M V30 END CTAB -M END -> -186 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.641400 -1.041400 0.000000 0 -M V30 2 C -0.703400 -0.824100 0.000000 0 -M V30 3 C -0.420700 -1.137900 0.000000 0 -M V30 4 C -0.806900 -1.244800 0.000000 0 -M V30 5 C -0.555200 -0.641400 0.000000 0 -M V30 6 C -0.441400 -1.410300 0.000000 0 -M V30 7 N -0.662100 -1.462100 0.000000 0 -M V30 8 C -0.693100 -0.434500 0.000000 0 -M V30 9 O -0.582800 -0.200000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 1 8 9 -M V30 9 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -187 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.889600 1.210000 0.000000 0 -M V30 2 C 1.069000 1.066700 0.000000 0 -M V30 3 O 0.949800 0.242200 0.000000 0 -M V30 4 C 1.700100 -0.125700 0.000000 0 -M V30 5 O 2.277000 0.473900 0.000000 0 -M V30 6 C 1.904400 -1.742800 0.000000 0 -M V30 7 C 1.925100 -0.919800 0.000000 0 -M V30 8 S 1.176700 -2.137600 0.000000 0 -M V30 9 C 0.569400 -1.581100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 5 1 -M V30 2 1 1 2 -M V30 3 1 2 3 -M V30 4 1 3 4 -M V30 5 1 4 5 -M V30 6 2 6 7 -M V30 7 1 6 8 -M V30 8 1 7 4 -M V30 9 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -188 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -8.753500 -3.976000 0.000000 0 -M V30 2 C -10.645500 -0.096000 0.000000 0 -M V30 3 N -4.040000 3.687500 0.000000 0 -M V30 4 C -14.974000 -0.417000 0.000000 0 -M V30 5 N -12.120000 -7.054000 0.000000 0 -M V30 6 C -1.859500 7.535000 0.000000 0 -M V30 7 C -8.465000 3.719500 0.000000 0 -M V30 8 C -16.000000 -4.873500 0.000000 0 -M V30 9 C -10.741500 7.535000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 2 3 7 -M V30 3 1 4 2 -M V30 4 1 5 1 -M V30 5 1 6 3 -M V30 6 1 7 2 -M V30 7 1 8 5 -M V30 8 1 9 7 -M V30 9 2 4 8 -M V30 END BOND -M V30 END CTAB -M END -> -189 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.327600 -1.186200 0.000000 0 -M V30 2 N 0.013800 -1.065500 0.000000 0 -M V30 3 C -0.327600 -1.486200 0.000000 0 -M V30 4 C 0.193100 -1.355200 0.000000 0 -M V30 5 C 0.127600 -0.748300 0.000000 0 -M V30 6 C -0.013800 -1.627600 0.000000 0 -M V30 7 C -0.079300 -0.475900 0.000000 0 -M V30 8 N 0.051700 -0.151700 0.000000 0 -M V30 9 C -0.162100 0.120700 0.000000 0 -M V30 10 C -0.013800 0.424100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 1 4 6 -M V30 END BOND -M V30 END CTAB -M END -> -190 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.420700 -2.124100 0.000000 0 -M V30 2 C -0.420700 -0.879300 0.000000 0 -M V30 3 F -0.420700 -3.365500 0.000000 0 -M V30 4 C 0.641400 -0.265500 0.000000 0 -M V30 5 C -1.489700 -0.265500 0.000000 0 -M V30 6 C 0.641400 0.975900 0.000000 0 -M V30 7 C -1.489700 0.975900 0.000000 0 -M V30 8 C -0.420700 1.589700 0.000000 0 -M V30 9 F 1.734500 1.617200 0.000000 0 -M V30 10 C -0.420700 2.834500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 2 5 -M V30 5 2 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -191 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.320700 0.262100 0.000000 0 -M V30 2 C 0.910300 0.382800 0.000000 0 -M V30 3 N 1.610300 -0.634500 0.000000 0 -M V30 4 N 1.434500 1.537900 0.000000 0 -M V30 5 N -0.510300 2.434500 0.000000 0 -M V30 6 N 2.882800 -0.689700 0.000000 0 -M V30 7 C 1.193100 -1.803400 0.000000 0 -M V30 8 C 0.696600 2.569000 0.000000 0 -M V30 9 C 3.193100 -1.869000 0.000000 0 -M V30 10 C 2.186200 -2.579300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 2 2 4 -M V30 4 1 3 6 -M V30 5 1 3 7 -M V30 6 1 4 8 -M V30 7 2 6 9 -M V30 8 2 7 10 -M V30 9 2 5 8 -M V30 10 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -192 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.291700 -0.391700 0.000000 0 -M V30 2 N 2.291700 0.195800 0.000000 0 CHG=1 -M V30 3 C 2.804200 -0.691700 0.000000 0 -M V30 4 C 3.362500 -0.504200 0.000000 0 -M V30 5 O 3.716700 -0.979200 0.000000 0 -M V30 6 C 2.804200 -1.287500 0.000000 0 -M V30 7 C 1.787500 -0.700000 0.000000 0 -M V30 8 C 3.375000 -1.462500 0.000000 0 -M V30 9 C 2.291700 -1.579200 0.000000 0 -M V30 10 C 1.787500 -1.287500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 1 -M V30 3 1 4 3 -M V30 4 1 5 4 -M V30 5 1 6 3 -M V30 6 1 7 1 -M V30 7 1 8 6 -M V30 8 1 9 10 -M V30 9 2 10 7 -M V30 10 2 6 9 -M V30 11 1 5 8 -M V30 END BOND -M V30 END CTAB -M END -> -193 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.772400 -0.324100 0.000000 0 -M V30 2 C -0.100000 0.782800 0.000000 0 -M V30 3 C 0.241400 -1.662100 0.000000 0 -M V30 4 N 2.203400 -0.120700 0.000000 0 CHG=1 -M V30 5 C -1.524100 0.579300 0.000000 0 -M V30 6 C -1.162100 -1.875900 0.000000 0 -M V30 7 O 2.727600 1.196600 0.000000 0 -M V30 8 C -2.058600 -0.744800 0.000000 0 -M V30 9 N -2.413800 1.710300 0.000000 0 -M V30 10 C -3.479300 -0.951700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 2 4 7 -M V30 7 2 5 8 -M V30 8 1 5 9 -M V30 9 1 8 10 -M V30 10 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -194 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.727600 -0.220700 0.000000 0 -M V30 2 C -0.913800 0.286200 0.000000 0 -M V30 3 O -0.069000 -0.210300 0.000000 0 -M V30 4 F -1.451700 1.286200 0.000000 0 -M V30 5 C 0.737900 0.293100 0.000000 0 -M V30 6 C 1.575900 -0.186200 0.000000 0 -M V30 7 C 2.365500 0.293100 0.000000 0 -M V30 8 F 2.048300 -1.196600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -195 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 3.779000 -2.327900 0.000000 0 -M V30 2 C 6.061700 -2.214100 0.000000 0 -M V30 3 O 3.803100 -3.686500 0.000000 0 -M V30 4 O 2.375500 -2.045100 0.000000 0 -M V30 5 C 6.072100 -3.562400 0.000000 0 -M V30 6 C 4.896200 -4.303800 0.000000 0 -M V30 7 C 2.058300 -0.879600 0.000000 0 -M V30 8 C 2.603100 0.248000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 3 -M V30 2 1 1 4 -M V30 3 1 2 5 -M V30 4 1 3 6 -M V30 5 1 4 7 -M V30 6 1 5 6 -M V30 7 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -196 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.827600 1.417200 0.000000 0 -M V30 2 C 0.503400 1.417200 0.000000 0 -M V30 3 C -1.827600 0.089700 0.000000 0 -M V30 4 C -3.013800 2.120700 0.000000 0 -M V30 5 S 0.503400 0.089700 0.000000 0 -M V30 6 C -0.662100 -0.551700 0.000000 0 -M V30 7 C -3.013800 -0.551700 0.000000 0 -M V30 8 C -4.179300 1.417200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -197 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 8.587500 -5.814500 0.000000 0 -M V30 2 C 13.081500 -5.982500 0.000000 0 -M V30 3 C 10.855500 -4.176500 0.000000 0 -M V30 4 N 9.385500 -8.439500 0.000000 0 -M V30 5 N 12.031500 -8.439500 0.000000 0 -M V30 6 N 5.983500 -4.995500 0.000000 0 CHG=1 -M V30 7 O 5.164500 -2.329000 0.000000 0 CHG=-1 -M V30 8 N 13.354000 -10.730500 0.000000 0 CHG=1 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 6 1 -M V30 2 1 3 1 -M V30 3 2 4 1 -M V30 4 1 5 4 -M V30 5 2 2 3 -M V30 6 1 7 6 -M V30 7 1 5 2 -M V30 8 1 8 5 -M V30 END BOND -M V30 END CTAB -M END -> -198 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.923800 -0.777500 0.000000 0 -M V30 2 S 1.250000 -1.274800 0.000000 0 -M V30 3 C 1.675600 -0.002000 0.000000 0 -M V30 4 C 2.709100 -1.019200 0.000000 0 -M V30 5 C 0.583300 -0.801700 0.000000 0 -M V30 6 N 0.831500 -0.002000 0.000000 0 -M V30 7 Br -0.182300 -1.077000 0.000000 0 -M V30 8 C 3.307600 -0.458100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 3 6 -M V30 2 1 5 7 -M V30 3 2 5 6 -M V30 4 1 4 8 -M V30 5 1 1 2 -M V30 6 2 1 3 -M V30 7 1 1 4 -M V30 8 1 2 5 -M V30 END BOND -M V30 END CTAB -M END -> -199 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.413800 0.034500 0.000000 0 -M V30 2 C -0.827600 0.758600 0.000000 0 -M V30 3 C 0.413800 -1.389700 0.000000 0 -M V30 4 C 1.672400 0.758600 0.000000 0 -M V30 5 C -2.062100 0.034500 0.000000 0 -M V30 6 N -0.827600 -2.100000 0.000000 0 -M V30 7 Cl 1.672400 -2.100000 0.000000 0 -M V30 8 C -2.062100 -1.389700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 3 7 -M V30 7 2 5 8 -M V30 8 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -200 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 8 7 0 0 0 -M V30 BEGIN ATOM -M V30 1 S 1.317200 -1.127600 0.000000 0 -M V30 2 O 0.075900 -1.841400 0.000000 0 -M V30 3 O 2.193100 -2.369000 0.000000 0 -M V30 4 C -1.237900 -1.093100 0.000000 0 -M V30 5 C -1.237900 0.386200 0.000000 0 -M V30 6 C -0.013800 1.041400 0.000000 0 -M V30 7 O 1.189700 0.293100 0.000000 0 -M V30 8 O -0.013800 2.465500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 2 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -201 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.466700 -2.966700 0.000000 0 -M V30 2 O 0.754200 -2.550000 0.000000 0 -M V30 3 C 1.466700 -3.795800 0.000000 0 -M V30 4 C 2.183300 -4.208300 0.000000 0 -M V30 5 C 2.895800 -2.966700 0.000000 0 -M V30 6 C 2.183300 -2.554200 0.000000 0 -M V30 7 C 2.895800 -3.795800 0.000000 0 -M V30 8 Br 4.325000 -2.970800 0.000000 0 -M V30 9 C 3.608300 -2.558300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 3 1 -M V30 3 2 4 3 -M V30 4 1 5 6 -M V30 5 2 6 1 -M V30 6 2 7 5 -M V30 7 1 8 9 -M V30 8 1 9 5 -M V30 9 1 4 7 -M V30 END BOND -M V30 END CTAB -M END -> -202 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.849200 -1.180200 0.000000 0 -M V30 2 C 1.849200 -0.354000 0.000000 0 -M V30 3 N 1.136300 -1.594000 0.000000 0 -M V30 4 S 2.565600 -1.594000 0.000000 0 -M V30 5 C 1.136300 0.059100 0.000000 0 -M V30 6 C 2.565600 0.059100 0.000000 0 -M V30 7 C 0.419900 -1.180200 0.000000 0 -M V30 8 C 0.419900 -0.354000 0.000000 0 -M V30 9 C -0.299900 -1.594000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 2 5 8 -M V30 8 1 7 9 -M V30 9 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -203 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.662100 -1.162100 0.000000 0 -M V30 2 C -0.148300 -0.689700 0.000000 0 -M V30 3 N -0.969000 -1.151700 0.000000 0 -M V30 4 C -1.772400 -0.682800 0.000000 0 -M V30 5 C -1.765500 0.251700 0.000000 0 -M V30 6 N -2.579300 -1.151700 0.000000 0 -M V30 7 C -2.579300 0.717200 0.000000 0 -M V30 8 C -3.400000 -0.682800 0.000000 0 -M V30 9 N -3.400000 0.251700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 2 3 -M V30 3 1 3 4 -M V30 4 2 4 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -204 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 O -3.700000 -0.070000 0.000000 0 -M V30 2 O -2.490000 2.130000 0.000000 0 -M V30 3 O -2.420000 -2.280000 0.000000 0 -M V30 4 C -4.360000 1.020000 0.000000 0 -M V30 5 C -3.740000 2.130000 0.000000 0 -M V30 6 C -3.680000 -2.280000 0.000000 0 -M V30 7 C -1.890000 3.260000 0.000000 0 -M V30 8 C -4.330000 -1.170000 0.000000 0 -M V30 9 C -1.780000 -3.360000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 8 -M V30 2 1 2 5 -M V30 3 1 3 9 -M V30 4 1 4 1 -M V30 5 1 5 4 -M V30 6 1 6 3 -M V30 7 1 7 2 -M V30 8 1 8 6 -M V30 END BOND -M V30 END CTAB -M END -> -205 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.506900 0.413800 0.000000 0 -M V30 2 C -0.755200 -0.317200 0.000000 0 -M V30 3 C 1.713800 -0.317200 0.000000 0 -M V30 4 C 0.482800 1.824100 0.000000 0 -M V30 5 C -0.755200 -1.751700 0.000000 0 -M V30 6 C -1.965500 0.458600 0.000000 0 -M V30 7 C 1.713800 -1.751700 0.000000 0 -M V30 8 N 0.506900 -2.444800 0.000000 0 -M V30 9 Cl 3.013800 -2.482800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 2 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -206 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 8 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.382800 0.475900 0.000000 0 -M V30 2 N 1.444800 1.017200 0.000000 0 -M V30 3 C 2.396600 -0.617200 0.000000 0 -M V30 4 C 0.500000 0.475900 0.000000 0 -M V30 5 C 1.458600 -1.155200 0.000000 0 -M V30 6 C -0.437900 1.017200 0.000000 0 -M V30 7 O 0.500000 -0.617200 0.000000 0 -M V30 8 N -1.382800 0.462100 0.000000 0 -M V30 9 C -2.324100 1.003400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 2 4 7 -M V30 7 1 6 8 -M V30 8 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -207 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 9 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.800000 0.041400 0.000000 0 -M V30 2 O 0.082800 1.258600 0.000000 0 -M V30 3 O 0.082800 -1.158600 0.000000 0 -M V30 4 C -1.931000 -0.955200 0.000000 0 -M V30 5 C 1.496600 0.796600 0.000000 0 -M V30 6 C 1.496600 -0.696600 0.000000 0 -M V30 7 C 2.724100 1.689700 0.000000 0 -M V30 8 C 2.724100 -1.579300 0.000000 0 -M V30 9 I 2.569000 3.189700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -208 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.027600 -2.158600 0.000000 0 -M V30 2 C 1.948300 -1.396600 0.000000 0 -M V30 3 C 2.765500 -2.310300 0.000000 0 -M V30 4 C 1.517200 -2.720700 0.000000 0 -M V30 5 C 2.627600 -1.096600 0.000000 0 -M V30 6 N 1.296600 -1.003400 0.000000 0 -M V30 7 N 3.141400 -1.644800 0.000000 0 -M V30 8 C 3.003400 -3.027600 0.000000 0 -M V30 9 C 1.758600 -3.437900 0.000000 0 -M V30 10 C 2.500000 -3.593100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 2 4 9 -M V30 9 2 8 10 -M V30 10 1 5 7 -M V30 11 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -209 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.775900 0.089700 0.000000 0 -M V30 2 C 0.479300 -0.613800 0.000000 0 -M V30 3 C -0.055200 1.334500 0.000000 0 -M V30 4 C -1.493100 -1.155200 0.000000 0 -M V30 5 Cl -2.027600 0.817200 0.000000 0 -M V30 6 C 1.693100 0.089700 0.000000 0 -M V30 7 C 0.479300 -2.044800 0.000000 0 -M V30 8 C 2.931000 -0.613800 0.000000 0 -M V30 9 C 1.693100 -2.748300 0.000000 0 -M V30 10 C 2.931000 -2.044800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 2 2 6 -M V30 6 1 2 7 -M V30 7 1 6 8 -M V30 8 2 7 9 -M V30 9 2 8 10 -M V30 10 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -210 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.848300 0.489700 0.000000 0 -M V30 2 C -0.848300 -0.486200 0.000000 0 -M V30 3 C -1.772400 0.789700 0.000000 0 -M V30 4 C 0.075900 0.789700 0.000000 0 -M V30 5 C 0.075900 -0.786200 0.000000 0 -M V30 6 O -1.772400 -0.786200 0.000000 0 -M V30 7 N -2.320700 0.013800 0.000000 0 -M V30 8 N 0.627600 0.013800 0.000000 0 -M V30 9 C 1.600000 -0.062100 0.000000 0 -M V30 10 C 2.000000 -0.934500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 1 5 8 -M V30 11 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -211 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 5.995500 -2.060000 0.000000 0 -M V30 2 N 11.586000 -1.986000 0.000000 0 -M V30 3 C 8.791000 -4.046000 0.000000 0 -M V30 4 C 7.099000 1.250500 0.000000 0 -M V30 5 N 10.483000 1.250500 0.000000 0 -M V30 6 N 2.685000 -3.163000 0.000000 0 -M V30 7 C 0.110500 -0.809000 0.000000 0 -M V30 8 C 8.791000 -7.466500 0.000000 0 -M V30 9 Cl -5.701000 0.441500 0.000000 0 -M V30 10 C -3.200000 -1.912500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 3 -M V30 2 1 3 1 -M V30 3 2 4 1 -M V30 4 1 5 4 -M V30 5 1 6 1 -M V30 6 1 7 6 -M V30 7 1 8 3 -M V30 8 1 9 10 -M V30 9 1 10 7 -M V30 10 1 2 5 -M V30 END BOND -M V30 END CTAB -M END -> -212 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.255200 0.037900 0.000000 0 -M V30 2 N 0.324100 -0.500000 0.000000 0 -M V30 3 C -0.610300 0.037900 0.000000 0 -M V30 4 N -1.544800 -0.500000 0.000000 0 -M V30 5 C -2.475900 0.041400 0.000000 0 -M V30 6 C -2.475900 1.117200 0.000000 0 -M V30 7 N -3.413800 -0.500000 0.000000 0 -M V30 8 C -3.413800 1.658600 0.000000 0 -M V30 9 C -4.344800 0.041400 0.000000 0 -M V30 10 C -4.344800 1.117200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 2 5 7 -M V30 7 2 6 8 -M V30 8 1 7 9 -M V30 9 1 8 10 -M V30 10 2 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -213 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.195800 -4.383300 0.000000 0 -M V30 2 C 4.195800 -5.212500 0.000000 0 -M V30 3 N 4.912000 -5.625000 0.000000 0 -M V30 4 C 5.624000 -5.212500 0.000000 0 -M V30 5 C 5.624000 -4.383300 0.000000 0 -M V30 6 N 4.912000 -3.966700 0.000000 0 -M V30 7 C 6.337500 -3.966700 0.000000 0 -M V30 8 C 4.904200 -3.137500 0.000000 0 -M V30 9 O 5.620700 -2.711300 0.000000 0 -M V30 10 C 5.616500 -1.878300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 3 4 -M V30 2 1 4 5 -M V30 3 1 5 6 -M V30 4 1 6 8 -M V30 5 1 1 2 -M V30 6 1 5 7 -M V30 7 1 1 6 -M V30 8 1 2 3 -M V30 9 1 8 9 -M V30 10 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -214 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 11.452000 1.846200 0.000000 0 -M V30 2 N 10.140900 2.635600 0.000000 0 -M V30 3 C 11.064000 0.441500 0.000000 0 -M V30 4 C 12.816600 2.635600 0.000000 0 -M V30 5 C 10.140900 4.174100 0.000000 0 -M V30 6 C 8.776300 1.846200 0.000000 0 -M V30 7 C 9.217800 0.441500 0.000000 0 -M V30 8 N 14.114300 1.846200 0.000000 0 -M V30 9 C 8.776300 4.923300 0.000000 0 -M V30 10 C 14.114300 0.294300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 8 10 -M V30 10 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -215 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.727600 -1.110300 0.000000 0 -M V30 2 C 2.010300 -1.524100 0.000000 0 -M V30 3 C 0.313800 0.169000 0.000000 0 -M V30 4 C -0.062100 -2.200000 0.000000 0 -M V30 5 C 2.010300 -2.872400 0.000000 0 -M V30 6 C 3.179300 -0.851700 0.000000 0 -M V30 7 N 0.727600 -3.293100 0.000000 0 -M V30 8 C 3.179300 -3.548300 0.000000 0 -M V30 9 C 4.344800 -1.524100 0.000000 0 -M V30 10 C 4.344800 -2.872400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 2 4 7 -M V30 7 2 5 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 1 5 7 -M V30 11 2 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -216 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.103400 0.031000 0.000000 0 -M V30 2 C -0.017200 -0.851700 0.000000 0 -M V30 3 C 1.103400 1.465500 0.000000 0 -M V30 4 O 2.403400 -0.593100 0.000000 0 -M V30 5 C -1.406900 -0.531000 0.000000 0 -M V30 6 O 0.289700 -2.255200 0.000000 0 -M V30 7 O -0.017200 2.351700 0.000000 0 -M V30 8 O -2.024100 0.744800 0.000000 0 -M V30 9 O -2.320700 -1.648300 0.000000 0 -M V30 10 Pb -1.406900 2.027600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 5 8 -M V30 8 2 5 9 -M V30 9 1 7 10 -M V30 10 1 8 10 -M V30 END BOND -M V30 END CTAB -M END -> -217 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.730000 3.020000 0.000000 0 -M V30 2 C -0.880000 1.150000 0.000000 0 -M V30 3 C -0.880000 0.210000 0.000000 0 -M V30 4 C -0.070000 1.620000 0.000000 0 -M V30 5 C -1.690000 -0.260000 0.000000 0 -M V30 6 C -0.070000 2.550000 0.000000 0 -M V30 7 C -1.690000 1.620000 0.000000 0 -M V30 8 C -2.500000 0.210000 0.000000 0 -M V30 9 O 1.530000 2.560000 0.000000 0 -M V30 10 C -2.500000 1.150000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 4 -M V30 2 2 3 2 -M V30 3 1 4 6 -M V30 4 1 5 3 -M V30 5 1 6 1 -M V30 6 1 7 2 -M V30 7 1 8 10 -M V30 8 1 9 1 -M V30 9 2 10 7 -M V30 10 2 8 5 -M V30 END BOND -M V30 END CTAB -M END -> -218 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.465500 2.275900 0.000000 0 -M V30 2 O -0.503400 2.831000 0.000000 0 -M V30 3 C 0.482800 2.275900 0.000000 0 -M V30 4 C 1.431000 2.831000 0.000000 0 -M V30 5 C 2.396600 2.275900 0.000000 0 -M V30 6 C 2.396600 1.162100 0.000000 0 -M V30 7 C 3.362100 2.831000 0.000000 0 -M V30 8 C 3.362100 0.603400 0.000000 0 -M V30 9 C 4.324100 2.275900 0.000000 0 -M V30 10 C 4.324100 1.162100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 2 4 5 -M V30 5 1 5 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 2 7 9 -M V30 9 2 8 10 -M V30 10 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -219 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.637900 -0.403400 0.000000 0 -M V30 2 C -1.103400 -0.696600 0.000000 0 -M V30 3 O -0.637900 0.113800 0.000000 0 -M V30 4 O -1.103400 -1.251700 0.000000 0 -M V30 5 C -1.603400 -0.441400 0.000000 0 -M V30 6 C -1.120700 0.386200 0.000000 0 -M V30 7 C -1.558600 -1.534500 0.000000 0 -M V30 8 C -1.603400 0.103400 0.000000 0 -M V30 9 O -2.062100 -1.244800 0.000000 0 -M V30 10 C -1.558600 -2.103400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 7 4 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 7 10 -M V30 10 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -220 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 8.904200 -5.300000 0.000000 0 -M V30 2 C 9.129200 -6.012500 0.000000 0 -M V30 3 N 10.129200 -4.904200 0.000000 0 -M V30 4 C 9.400000 -4.741700 0.000000 0 -M V30 5 N 9.854200 -6.166700 0.000000 0 -M V30 6 C 10.362500 -5.616700 0.000000 0 -M V30 7 C 10.616700 -4.366700 0.000000 0 -M V30 8 C 11.325000 -4.516700 0.000000 0 -M V30 9 C 11.541700 -5.204200 0.000000 0 -M V30 10 C 11.804200 -3.987500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 3 4 -M V30 3 1 4 1 -M V30 4 1 5 2 -M V30 5 1 6 3 -M V30 6 1 7 3 -M V30 7 1 8 7 -M V30 8 2 9 8 -M V30 9 1 10 8 -M V30 10 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -221 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.550000 -2.537500 0.000000 0 CHG=1 -M V30 2 P 0.966700 -2.954200 0.000000 0 CHG=-1 -M V30 3 C 0.129200 -2.954200 0.000000 0 -M V30 4 N 0.550000 -3.379200 0.000000 0 -M V30 5 C -0.470800 -2.954200 0.000000 0 -M V30 6 F 1.366700 -1.991700 0.000000 0 -M V30 7 F 1.041700 -3.816700 0.000000 0 -M V30 8 C 0.550000 -1.937500 0.000000 0 -M V30 9 Cl -0.470800 -2.354200 0.000000 0 -M V30 10 Cl -1.070800 -2.954200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 1 -M V30 3 1 4 3 -M V30 4 1 5 3 -M V30 5 1 6 2 -M V30 6 1 7 2 -M V30 7 1 8 1 -M V30 8 1 9 5 -M V30 9 1 10 5 -M V30 10 1 2 4 -M V30 END BOND -M V30 END CTAB -M END -> -222 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 5.704200 -3.833300 0.000000 0 -M V30 2 C 6.389300 -3.437500 0.000000 0 -M V30 3 C 7.079500 -3.832000 0.000000 0 -M V30 4 N 4.334000 -3.842000 0.000000 0 -M V30 5 C 5.018500 -3.440700 0.000000 0 -M V30 6 C 3.669200 -3.440700 0.000000 0 -M V30 7 C 3.896700 -4.487600 0.000000 0 -M V30 8 C 5.027500 -2.650900 0.000000 0 -M V30 9 C 3.669200 -2.650900 0.000000 0 -M V30 10 C 4.235200 -5.204200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 3 -M V30 2 1 1 2 -M V30 3 1 4 5 -M V30 4 1 4 6 -M V30 5 1 4 7 -M V30 6 2 5 8 -M V30 7 1 5 1 -M V30 8 2 6 9 -M V30 9 1 7 10 -M V30 10 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -223 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.903400 -0.120700 0.000000 0 -M V30 2 C 1.489700 1.172400 0.000000 0 -M V30 3 C -0.510300 0.020700 0.000000 0 -M V30 4 C 1.744800 -1.289700 0.000000 0 -M V30 5 N 0.417200 2.134500 0.000000 0 -M V30 6 C 2.920700 1.320700 0.000000 0 -M V30 7 C -0.810300 1.413800 0.000000 0 -M V30 8 C -1.472400 -1.044800 0.000000 0 -M V30 9 C 3.179300 -1.137900 0.000000 0 -M V30 10 C 3.769000 0.155200 0.000000 0 -M V30 11 C -2.882800 -0.744800 0.000000 0 -M V30 12 O -3.844800 -1.810300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 3 8 -M V30 8 2 4 9 -M V30 9 2 6 10 -M V30 10 1 8 11 -M V30 11 2 11 12 -M V30 12 1 5 7 -M V30 13 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -224 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.693100 1.510300 0.000000 0 -M V30 2 C 2.144800 0.569000 0.000000 0 -M V30 3 O 2.172400 2.458600 0.000000 0 -M V30 4 C 1.055200 0.575900 0.000000 0 -M V30 5 C 0.506900 -0.348300 0.000000 0 -M V30 6 C -0.558600 -0.348300 0.000000 0 -M V30 7 C -1.106900 -1.300000 0.000000 0 -M V30 8 C -2.189700 -1.317200 0.000000 0 -M V30 9 C -2.717200 -2.262100 0.000000 0 -M V30 10 O -2.151700 -3.203400 0.000000 0 -M V30 11 O -3.820700 -2.262100 0.000000 0 -M V30 12 C -4.344800 -3.213800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 1 9 11 -M V30 11 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -225 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.654200 -0.304200 0.000000 0 -M V30 2 C 1.939600 -0.720300 0.000000 0 -M V30 3 N 3.370900 -0.716700 0.000000 0 -M V30 4 N 0.504200 -0.736500 0.000000 0 -M V30 5 C 1.218800 -0.316200 0.000000 0 -M V30 6 C 4.091700 -1.133300 0.000000 0 -M V30 7 C 4.920900 -1.133300 0.000000 0 -M V30 8 O 5.504200 -1.720800 0.000000 0 -M V30 9 C 4.500000 -1.850000 0.000000 0 -M V30 10 C 4.083400 -2.566700 0.000000 0 -M V30 11 C 4.491700 -3.283300 0.000000 0 -M V30 12 C 4.075000 -4.000000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 3 1 -M V30 2 1 4 5 -M V30 3 1 5 2 -M V30 4 1 2 1 -M V30 5 1 6 9 -M V30 6 1 9 10 -M V30 7 1 7 8 -M V30 8 1 10 11 -M V30 9 1 6 7 -M V30 10 1 11 12 -M V30 11 1 6 3 -M V30 END BOND -M V30 END CTAB -M END -> -226 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.493100 0.310300 0.000000 0 -M V30 2 C 1.896600 -0.389700 0.000000 0 -M V30 3 N 0.662100 0.327600 0.000000 0 -M V30 4 C 2.706900 -0.389700 0.000000 0 -M V30 5 C 0.258600 -0.365500 0.000000 0 -M V30 6 C 3.117200 -1.096600 0.000000 0 -M V30 7 C 3.117200 0.317200 0.000000 0 -M V30 8 C -0.541400 -0.389700 0.000000 0 -M V30 9 C 3.941400 -1.096600 0.000000 0 -M V30 10 C 3.934500 0.317200 0.000000 0 -M V30 11 O -0.951700 -1.096600 0.000000 0 -M V30 12 C 4.344800 -0.389700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 2 4 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 2 7 10 -M V30 10 1 8 11 -M V30 11 2 9 12 -M V30 12 1 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -227 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 5.250000 2.049000 0.000000 0 -M V30 2 C 4.500000 3.348100 0.000000 0 -M V30 3 C 5.250000 4.647100 0.000000 0 -M V30 4 C 6.750000 4.647100 0.000000 0 -M V30 5 C 7.500000 3.348100 0.000000 0 -M V30 6 C 6.750000 2.049000 0.000000 0 -M V30 7 C 9.000000 3.348100 0.000000 0 -M V30 8 O 9.750000 2.049000 0.000000 0 -M V30 9 C 7.500000 5.946200 0.000000 0 -M V30 10 C 7.500000 0.750000 0.000000 0 -M V30 11 C 2.250000 4.647100 0.000000 0 -M V30 12 O 3.000000 3.348100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 6 -M V30 3 1 2 3 -M V30 4 1 2 12 -M V30 5 2 3 4 -M V30 6 1 4 5 -M V30 7 1 4 9 -M V30 8 2 5 6 -M V30 9 1 5 7 -M V30 10 1 6 10 -M V30 11 2 7 8 -M V30 12 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -228 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.472400 -0.596600 0.000000 0 -M V30 2 C -1.472400 0.237900 0.000000 0 -M V30 3 N -0.769000 -1.010300 0.000000 0 -M V30 4 C -2.189700 0.648300 0.000000 0 -M V30 5 C -0.755200 0.648300 0.000000 0 -M V30 6 C -0.041400 -0.603400 0.000000 0 -M V30 7 C -2.913800 -0.596600 0.000000 0 -M V30 8 N -2.910300 0.237900 0.000000 0 -M V30 9 C -3.627600 -1.006900 0.000000 0 -M V30 10 C -3.627600 0.651700 0.000000 0 -M V30 11 C -4.344800 -0.596600 0.000000 0 -M V30 12 C -4.344800 0.237900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 8 -M V30 7 1 7 9 -M V30 8 1 8 10 -M V30 9 2 9 11 -M V30 10 2 10 12 -M V30 11 1 7 8 -M V30 12 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -229 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -10.545000 0.122000 0.000000 0 -M V30 2 C -5.821000 -1.432500 0.000000 0 -M V30 3 C -7.619000 -3.931500 0.000000 0 -M V30 4 C -10.545000 -3.047500 0.000000 0 -M V30 5 N -1.127500 1.219000 0.000000 0 -M V30 6 C -2.682000 -1.463000 0.000000 0 -M V30 7 C 1.950500 1.219000 0.000000 0 -M V30 8 C 8.198000 1.219000 0.000000 0 -M V30 9 C 3.505000 -1.432500 0.000000 0 -M V30 10 C 3.535000 3.931500 0.000000 0 -M V30 11 C 6.674500 3.931500 0.000000 0 -M V30 12 C 6.644000 -1.432500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 3 2 -M V30 2 1 4 1 -M V30 3 1 5 6 -M V30 4 1 6 2 -M V30 5 1 7 5 -M V30 6 2 8 11 -M V30 7 1 9 7 -M V30 8 2 10 7 -M V30 9 1 11 10 -M V30 10 2 12 9 -M V30 11 2 4 3 -M V30 12 1 12 8 -M V30 END BOND -M V30 END CTAB -M END -> -230 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.579300 0.075900 0.000000 0 -M V30 2 C 0.579300 1.406900 0.000000 0 -M V30 3 C -0.606900 -0.600000 0.000000 0 -M V30 4 N 1.769000 -0.600000 0.000000 0 -M V30 5 C -0.606900 2.082800 0.000000 0 -M V30 6 S 1.769000 2.082800 0.000000 0 -M V30 7 C -1.793100 0.075900 0.000000 0 -M V30 8 C 2.955200 0.075900 0.000000 0 -M V30 9 C -1.793100 1.406900 0.000000 0 -M V30 10 C 2.955200 1.406900 0.000000 0 -M V30 11 C -2.982800 -0.600000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 2 5 9 -M V30 9 1 6 10 -M V30 10 1 7 11 -M V30 11 1 7 9 -M V30 12 1 8 10 -M V30 END BOND -M V30 END CTAB -M END -> -231 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.655200 0.200000 0.000000 0 -M V30 2 C -0.048300 -0.220700 0.000000 0 -M V30 3 C -0.437900 0.903400 0.000000 0 -M V30 4 C 0.534500 0.224100 0.000000 0 -M V30 5 N 0.296600 0.924100 0.000000 0 -M V30 6 N 0.717200 1.527600 0.000000 0 -M V30 7 C 1.444800 1.420700 0.000000 0 -M V30 8 C 1.893100 2.003400 0.000000 0 -M V30 9 N 1.720700 0.741400 0.000000 0 -M V30 10 C 2.448300 0.637900 0.000000 0 -M V30 11 C 2.900000 1.217200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 2 7 9 -M V30 9 1 9 10 -M V30 10 1 4 5 -M V30 11 2 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -232 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.565500 0.489700 0.000000 0 -M V30 2 C -0.113800 -0.875900 0.000000 0 -M V30 3 N -1.993100 0.489700 0.000000 0 -M V30 4 C 0.258600 1.669000 0.000000 0 -M V30 5 S -1.293100 -1.700000 0.000000 0 -M V30 6 C 1.269000 -1.358600 0.000000 0 -M V30 7 C -2.410300 -0.875900 0.000000 0 -M V30 8 F 1.437900 0.848300 0.000000 0 -M V30 9 N 2.306900 -0.396600 0.000000 0 -M V30 10 O 1.517200 -2.755200 0.000000 0 -M V30 11 C -3.762100 -1.358600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 6 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -233 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.305000 -2.255000 0.000000 0 -M V30 2 N -4.541000 -7.436000 0.000000 0 -M V30 3 C -4.205500 3.047500 0.000000 0 -M V30 4 C 6.186500 -2.255000 0.000000 0 -M V30 5 C -10.545000 0.884000 0.000000 0 -M V30 6 C -10.545000 -5.455000 0.000000 0 -M V30 7 C 12.708500 -2.255000 0.000000 0 -M V30 8 O 16.000000 3.383000 0.000000 0 -M V30 9 Cl -16.000000 4.449500 0.000000 0 -M V30 10 C 6.186500 -8.777000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 1 -M V30 4 2 5 3 -M V30 5 2 6 2 -M V30 6 1 7 4 -M V30 7 2 8 7 -M V30 8 1 9 5 -M V30 9 1 10 4 -M V30 10 1 6 5 -M V30 END BOND -M V30 END CTAB -M END -> -234 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.265500 -0.575900 0.000000 0 -M V30 2 C -0.569000 -1.489700 0.000000 0 -M V30 3 C 0.058600 0.658600 0.000000 0 -M V30 4 C 1.482800 -0.765500 0.000000 0 -M V30 5 C -0.186200 -2.675900 0.000000 0 -M V30 6 C -1.779300 -1.231000 0.000000 0 -M V30 7 S 2.041400 0.348300 0.000000 0 -M V30 8 C -1.027600 -3.593100 0.000000 0 -M V30 9 C -2.624100 -2.155200 0.000000 0 -M V30 10 C -2.231000 -3.334500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 4 7 -M V30 7 2 5 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 2 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -235 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.734500 -0.151700 0.000000 0 -M V30 2 C -0.520700 -0.855200 0.000000 0 -M V30 3 C -1.734500 1.248300 0.000000 0 -M V30 4 S -2.951700 -0.855200 0.000000 0 -M V30 5 C 0.700000 -0.151700 0.000000 0 -M V30 6 C -0.520700 1.948300 0.000000 0 -M V30 7 O -1.948300 -1.855200 0.000000 0 -M V30 8 C 0.700000 1.248300 0.000000 0 -M V30 9 F 1.917200 -0.855200 0.000000 0 -M V30 10 N 1.917200 1.948300 0.000000 0 -M V30 11 C 3.127600 1.248300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 2 4 7 -M V30 7 2 5 8 -M V30 8 1 5 9 -M V30 9 1 8 10 -M V30 10 1 10 11 -M V30 11 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -236 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.037900 0.569000 0.000000 0 -M V30 2 N 0.037900 -0.031000 0.000000 0 -M V30 3 C -1.037900 1.789700 0.000000 0 -M V30 4 C -2.103400 -0.031000 0.000000 0 -M V30 5 C 0.037900 -1.227600 0.000000 0 -M V30 6 C 1.106900 0.569000 0.000000 0 -M V30 7 C 0.037900 2.396600 0.000000 0 -M V30 8 C -2.103400 2.396600 0.000000 0 -M V30 9 C -3.179300 0.569000 0.000000 0 -M V30 10 C 1.106900 1.789700 0.000000 0 -M V30 11 C -3.179300 1.789700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 2 4 9 -M V30 9 1 6 10 -M V30 10 2 8 11 -M V30 11 2 7 10 -M V30 12 1 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -237 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 5.381500 -4.444600 0.000000 0 -M V30 2 C 5.381300 -3.615400 0.000000 0 -M V30 3 C 6.088700 -4.854800 0.000000 0 -M V30 4 O 4.661600 -4.856800 0.000000 0 -M V30 5 C 6.097200 -3.207100 0.000000 0 -M V30 6 C 4.658200 -3.204300 0.000000 0 -M V30 7 C 6.806400 -4.452600 0.000000 0 -M V30 8 C 6.806700 -3.621600 0.000000 0 -M V30 9 O 7.530400 -4.861500 0.000000 0 -M V30 10 C 4.670000 -2.376400 0.000000 0 -M V30 11 C 5.396500 -1.975000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 6 -M V30 2 2 3 7 -M V30 3 2 5 8 -M V30 4 1 7 9 -M V30 5 1 7 8 -M V30 6 1 6 10 -M V30 7 2 1 2 -M V30 8 1 10 11 -M V30 9 1 1 3 -M V30 10 1 1 4 -M V30 11 1 2 5 -M V30 END BOND -M V30 END CTAB -M END -> -238 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.060000 -0.560000 0.000000 0 -M V30 2 C -0.720000 -1.720000 0.000000 0 -M V30 3 C -0.060000 -1.340000 0.000000 0 -M V30 4 O -1.330000 -1.280000 0.000000 0 -M V30 5 C -0.950000 -2.490000 0.000000 0 -M V30 6 C -0.060000 0.550000 0.000000 0 -M V30 7 C 0.490000 -0.020000 0.000000 0 -M V30 8 C -0.620000 0.010000 0.000000 0 -M V30 9 N -0.060000 1.320000 0.000000 0 -M V30 10 C -1.970000 -1.720000 0.000000 0 -M V30 11 C -1.750000 -2.490000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 3 -M V30 2 1 3 1 -M V30 3 1 4 2 -M V30 4 2 5 2 -M V30 5 1 6 8 -M V30 6 1 7 1 -M V30 7 1 8 1 -M V30 8 1 9 6 -M V30 9 1 10 4 -M V30 10 1 11 5 -M V30 11 1 6 7 -M V30 12 2 11 10 -M V30 END BOND -M V30 END CTAB -M END -> -239 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.989700 -1.444800 0.000000 0 -M V30 2 C 0.117200 -2.082800 0.000000 0 -M V30 3 C -0.989700 -0.169000 0.000000 0 -M V30 4 C -2.093100 -2.082800 0.000000 0 -M V30 5 C 1.220700 -1.444800 0.000000 0 -M V30 6 C 0.117200 0.469000 0.000000 0 -M V30 7 C 1.220700 -0.169000 0.000000 0 -M V30 8 C 2.324100 -2.082800 0.000000 0 -M V30 9 C 0.117200 1.741400 0.000000 0 -M V30 10 C 1.320700 2.169000 0.000000 0 -M V30 11 Br 1.320700 3.444800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 2 5 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -240 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 S 6.116700 -2.341700 0.000000 0 -M V30 2 N 6.941700 -2.325000 0.000000 0 -M V30 3 C 2.787500 -3.466700 0.000000 0 -M V30 4 C 4.075000 -3.129200 0.000000 0 -M V30 5 C 3.629200 -2.437500 0.000000 0 -M V30 6 C 2.829200 -2.650000 0.000000 0 -M V30 7 C 5.291700 -2.366700 0.000000 0 -M V30 8 C 3.554200 -3.766700 0.000000 0 -M V30 9 C 4.904200 -3.091700 0.000000 0 -M V30 10 C 4.004200 -1.700000 0.000000 0 -M V30 11 C 4.829200 -1.654200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 7 -M V30 2 1 2 1 -M V30 3 1 4 8 -M V30 4 1 5 6 -M V30 5 2 7 9 -M V30 6 1 8 3 -M V30 7 1 9 4 -M V30 8 1 10 5 -M V30 9 2 11 10 -M V30 10 1 3 6 -M V30 11 2 5 4 -M V30 12 1 7 11 -M V30 END BOND -M V30 END CTAB -M END -> -241 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.044800 -0.655200 0.000000 0 -M V30 2 C -0.044800 0.758600 0.000000 0 -M V30 3 C -1.393100 -1.096600 0.000000 0 -M V30 4 C 1.193100 -1.379300 0.000000 0 -M V30 5 C -1.393100 1.203400 0.000000 0 -M V30 6 C 1.193100 1.475900 0.000000 0 -M V30 7 N -2.244800 0.041400 0.000000 0 -M V30 8 O -1.844800 -2.469000 0.000000 0 -M V30 9 C 2.431000 -0.655200 0.000000 0 -M V30 10 O -1.844800 2.562100 0.000000 0 -M V30 11 C 2.431000 0.758600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 3 8 -M V30 8 1 4 9 -M V30 9 2 5 10 -M V30 10 1 6 11 -M V30 11 1 5 7 -M V30 12 1 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -242 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.013800 1.165500 0.000000 0 -M V30 2 N 1.231000 0.727600 0.000000 0 -M V30 3 O 2.772400 0.700000 0.000000 0 -M V30 4 C 0.444800 1.175900 0.000000 0 -M V30 5 C 3.565500 1.175900 0.000000 0 -M V30 6 C -0.331000 0.737900 0.000000 0 -M V30 7 O -0.331000 -0.175900 0.000000 0 -M V30 8 C -1.110300 -0.634500 0.000000 0 -M V30 9 C -1.100000 -1.537900 0.000000 0 -M V30 10 O -1.893100 -1.993100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -243 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.069000 0.113800 0.000000 0 -M V30 2 C 1.282800 0.506900 0.000000 0 -M V30 3 C 0.069000 -1.165500 0.000000 0 -M V30 4 C 2.010300 -0.520700 0.000000 0 -M V30 5 N 2.065500 1.531000 0.000000 0 -M V30 6 N 1.282800 -1.558600 0.000000 0 -M V30 7 C -1.037900 -1.800000 0.000000 0 -M V30 8 S 3.224100 -0.141400 0.000000 0 -M V30 9 C 3.265500 1.100000 0.000000 0 -M V30 10 C -2.144800 -1.165500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 2 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 2 5 9 -M V30 9 2 7 10 -M V30 10 1 4 6 -M V30 11 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -244 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.982800 1.693100 0.000000 0 -M V30 2 C 1.982800 0.558600 0.000000 0 -M V30 3 C 3.003400 -0.020700 0.000000 0 -M V30 4 C 2.993100 -1.203400 0.000000 0 -M V30 5 C 2.041400 -1.796600 0.000000 0 -M V30 6 C 2.041400 -2.955200 0.000000 0 -M V30 7 C 1.065500 -3.593100 0.000000 0 -M V30 8 C 0.010300 -3.072400 0.000000 0 -M V30 9 C -1.010300 -3.593100 0.000000 0 -M V30 10 C -2.006900 -2.979300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -245 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 1.444800 0.048300 0.000000 0 -M V30 2 C 0.137900 0.069000 0.000000 0 -M V30 3 C 2.086200 -1.093100 0.000000 0 -M V30 4 C -0.203400 1.331000 0.000000 0 -M V30 5 C -0.537900 0.055200 0.000000 0 -M V30 6 C -0.879300 1.317200 0.000000 0 -M V30 7 C -1.213800 0.048300 0.000000 0 -M V30 8 C -1.555200 1.310300 0.000000 0 -M V30 9 C -1.882800 0.031000 0.000000 0 -M V30 10 C -2.224100 1.296600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -246 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.203100 -0.253100 0.000000 0 -M V30 2 C 0.372800 -0.253100 0.000000 0 -M V30 3 N 1.457000 -1.040200 0.000000 0 -M V30 4 C 1.686200 0.413800 0.000000 0 -M V30 5 C 0.119000 -1.040200 0.000000 0 -M V30 6 Br -0.114300 0.413800 0.000000 0 -M V30 7 N 0.786600 -1.527500 0.000000 0 -M V30 8 C 1.347200 1.165000 0.000000 0 -M V30 9 N 2.502400 0.328300 0.000000 0 -M V30 10 C 1.830300 1.832000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 6 -M V30 2 1 3 7 -M V30 3 1 5 7 -M V30 4 1 4 8 -M V30 5 1 1 2 -M V30 6 1 4 9 -M V30 7 2 1 3 -M V30 8 1 8 10 -M V30 9 1 1 4 -M V30 10 2 2 5 -M V30 END BOND -M V30 END CTAB -M END -> -247 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.003400 0.234500 0.000000 0 -M V30 2 C 0.834500 0.703400 0.000000 0 -M V30 3 C -0.003400 -0.724100 0.000000 0 -M V30 4 C -0.824100 0.703400 0.000000 0 -M V30 5 C -0.834500 -1.193100 0.000000 0 -M V30 6 C -0.834500 -2.148300 0.000000 0 -M V30 7 C -1.662100 -0.724100 0.000000 0 -M V30 8 C -1.662100 -2.634500 0.000000 0 -M V30 9 C -2.493100 -1.206900 0.000000 0 -M V30 10 C -2.493100 -2.165500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 3 5 -M V30 5 2 5 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 2 7 9 -M V30 9 2 8 10 -M V30 10 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -248 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.106900 -0.569000 0.000000 0 -M V30 2 C 1.124100 0.034500 0.000000 0 -M V30 3 C 1.551700 -0.979300 0.000000 0 -M V30 4 S 0.613800 -0.831000 0.000000 0 -M V30 5 C 0.665500 0.396600 0.000000 0 -M V30 6 S 1.600000 0.310300 0.000000 0 -M V30 7 N 1.282800 -1.506900 0.000000 0 -M V30 8 C 0.669000 -1.403400 0.000000 0 -M V30 9 N 0.910300 0.951700 0.000000 0 -M V30 10 C 1.469000 0.886200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 7 8 -M V30 11 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -249 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.220700 -2.037900 0.000000 0 -M V30 2 C -1.220700 -2.958600 0.000000 0 -M V30 3 O -2.031000 -1.569000 0.000000 0 -M V30 4 C -0.417200 -1.569000 0.000000 0 -M V30 5 C -0.417200 -3.420700 0.000000 0 -M V30 6 S -2.031000 -0.641400 0.000000 0 -M V30 7 C 0.389700 -2.037900 0.000000 0 -M V30 8 C 0.389700 -2.958600 0.000000 0 -M V30 9 N -2.031000 0.293100 0.000000 0 -M V30 10 C -1.210300 0.758600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 2 5 8 -M V30 8 1 6 9 -M V30 9 1 9 10 -M V30 10 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -250 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.920000 0.610000 0.000000 0 -M V30 2 N -1.930000 -0.650000 0.000000 0 -M V30 3 C -2.670000 0.370000 0.000000 0 -M V30 4 C -1.480000 -0.010000 0.000000 0 -M V30 5 S -1.680000 1.290000 0.000000 0 -M V30 6 C -2.670000 -0.430000 0.000000 0 -M V30 7 C -3.350000 0.740000 0.000000 0 -M V30 8 C -3.340000 -0.810000 0.000000 0 -M V30 9 C -4.010000 0.340000 0.000000 0 -M V30 10 C -4.010000 -0.420000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 4 -M V30 2 1 3 1 -M V30 3 2 4 1 -M V30 4 1 5 1 -M V30 5 2 6 3 -M V30 6 1 7 3 -M V30 7 1 8 6 -M V30 8 2 9 7 -M V30 9 1 10 9 -M V30 10 1 6 2 -M V30 11 2 10 8 -M V30 END BOND -M V30 END CTAB -M END -> -251 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -3.048300 -0.006900 0.000000 0 -M V30 2 C -1.927600 0.817200 0.000000 0 -M V30 3 C -4.344800 0.527600 0.000000 0 -M V30 4 C -2.875900 -1.400000 0.000000 0 -M V30 5 C -0.634500 0.262100 0.000000 0 -M V30 6 C 0.634500 -0.262100 0.000000 0 -M V30 7 C 1.927600 -0.817200 0.000000 0 -M V30 8 N 3.048300 0.006900 0.000000 0 -M V30 9 C 4.344800 -0.527600 0.000000 0 -M V30 10 C 2.875900 1.400000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 3 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 1 8 10 -M V30 END BOND -M V30 END CTAB -M END -> -252 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 Si 3.155200 1.600000 0.000000 0 -M V30 2 C 1.934500 0.893100 0.000000 0 -M V30 3 C 0.713800 0.193100 0.000000 0 -M V30 4 C -0.506900 -0.513800 0.000000 0 -M V30 5 C -0.506900 -1.924100 0.000000 0 -M V30 6 C -1.724100 0.193100 0.000000 0 -M V30 7 C -1.724100 -2.631000 0.000000 0 -M V30 8 C -2.948300 -0.513800 0.000000 0 -M V30 9 C -2.948300 -1.924100 0.000000 0 -M V30 10 F -4.165500 -2.620700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 3 2 3 -M V30 3 1 3 4 -M V30 4 2 4 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 2 6 8 -M V30 8 2 7 9 -M V30 9 1 9 10 -M V30 10 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -253 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 Sn 3.031000 -0.241400 0.000000 0 -M V30 2 O 1.658600 -0.679300 0.000000 0 -M V30 3 C 2.472400 1.062100 0.000000 0 -M V30 4 C 4.300000 0.417200 0.000000 0 -M V30 5 S 0.596600 0.258600 0.000000 0 -M V30 6 C 3.331000 2.210300 0.000000 0 -M V30 7 O -0.596600 -0.503400 0.000000 0 -M V30 8 O 1.637900 1.237900 0.000000 0 -M V30 9 Sn -1.872400 0.127600 0.000000 0 -M V30 10 C -1.117200 1.351700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 2 5 8 -M V30 8 1 7 9 -M V30 9 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -254 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.151700 0.917200 0.000000 0 -M V30 2 C 0.224100 1.455200 0.000000 0 -M V30 3 C 2.096600 1.444800 0.000000 0 -M V30 4 C -0.696600 0.917200 0.000000 0 -M V30 5 C -0.696600 3.075900 0.000000 0 -M V30 6 C -1.627600 1.455200 0.000000 0 -M V30 7 C -1.641400 2.537900 0.000000 0 -M V30 8 O -2.655200 1.110300 0.000000 0 -M V30 9 O -2.658600 2.862100 0.000000 0 -M V30 10 C -3.296600 1.986200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 4 6 -M V30 5 2 5 7 -M V30 6 1 6 8 -M V30 7 1 7 9 -M V30 8 1 8 10 -M V30 9 1 6 7 -M V30 10 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -255 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.127600 -0.424100 0.000000 0 -M V30 2 C 2.844800 -0.841400 0.000000 0 -M V30 3 C 2.127600 0.400000 0.000000 0 -M V30 4 C 1.410300 -0.841400 0.000000 0 -M V30 5 C 3.562100 -0.424100 0.000000 0 -M V30 6 C 3.017200 -1.644800 0.000000 0 -M V30 7 O 2.841400 0.817200 0.000000 0 -M V30 8 C 3.562100 0.400000 0.000000 0 -M V30 9 C 4.172400 -0.979300 0.000000 0 -M V30 10 C 3.837900 -1.731000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 5 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 7 8 -M V30 11 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -256 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.003400 0.348300 0.000000 0 -M V30 2 C 2.206900 -0.017200 0.000000 0 -M V30 3 C -0.034500 -0.403400 0.000000 0 -M V30 4 C 0.617200 1.534500 0.000000 0 -M V30 5 O 3.124100 0.834500 0.000000 0 -M V30 6 C -1.051700 0.317200 0.000000 0 -M V30 7 C -0.669000 1.534500 0.000000 0 -M V30 8 C -2.224100 -0.103400 0.000000 0 -M V30 9 O -3.141400 0.717200 0.000000 0 -M V30 10 C -4.344800 0.265500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 6 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -257 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.062100 0.410300 0.000000 0 -M V30 2 C 0.369000 0.427600 0.000000 0 -M V30 3 C -1.506900 -0.937900 0.000000 0 -M V30 4 C -1.913800 1.575900 0.000000 0 -M V30 5 C 0.817200 -0.937900 0.000000 0 -M V30 6 N -0.351700 -1.789700 0.000000 0 -M V30 7 O -1.327600 2.882800 0.000000 0 -M V30 8 C 2.169000 -1.386200 0.000000 0 -M V30 9 O 3.231000 -0.434500 0.000000 0 -M V30 10 O 2.475900 -2.789700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 1 8 9 -M V30 9 2 8 10 -M V30 10 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -258 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.031000 0.931000 0.000000 0 -M V30 2 C -1.013800 0.386200 0.000000 0 -M V30 3 C -3.051700 0.313800 0.000000 0 -M V30 4 S -0.044800 0.979300 0.000000 0 -M V30 5 C -1.000000 -0.769000 0.000000 0 -M V30 6 S -3.051700 -0.824100 0.000000 0 -M V30 7 C 0.972400 0.420700 0.000000 0 -M V30 8 C -2.017200 -1.362100 0.000000 0 -M V30 9 C 1.972400 1.034500 0.000000 0 -M V30 10 C 2.989700 0.469000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 2 9 10 -M V30 10 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -259 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 3.554200 -1.041700 0.000000 0 -M V30 2 N 2.291700 -0.629200 0.000000 0 -M V30 3 C 2.291700 -1.454200 0.000000 0 -M V30 4 C 3.075000 -0.375000 0.000000 0 -M V30 5 N 3.075000 -1.704200 0.000000 0 -M V30 6 N 1.579200 -1.866700 0.000000 0 -M V30 7 C 4.379200 -1.050000 0.000000 0 -M V30 8 C 1.579200 -0.216700 0.000000 0 -M V30 9 C 0.862500 -0.629200 0.000000 0 -M V30 10 C 0.862500 -1.454200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 4 -M V30 2 2 3 5 -M V30 3 2 4 1 -M V30 4 1 5 1 -M V30 5 1 6 3 -M V30 6 1 7 1 -M V30 7 1 8 2 -M V30 8 2 9 8 -M V30 9 2 10 6 -M V30 10 1 3 2 -M V30 11 1 10 9 -M V30 END BOND -M V30 END CTAB -M END -> -260 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 P -0.024100 -0.082800 0.000000 0 -M V30 2 C -0.917200 0.793100 0.000000 0 -M V30 3 C -0.993100 -0.896600 0.000000 0 -M V30 4 C 1.058600 0.520700 0.000000 0 -M V30 5 C -2.141400 0.462100 0.000000 0 -M V30 6 C -2.182800 -0.462100 0.000000 0 -M V30 7 C 2.151700 -0.093100 0.000000 0 -M V30 8 C -3.027600 1.358600 0.000000 0 -M V30 9 C 3.251700 0.520700 0.000000 0 -M V30 10 C 4.344800 -0.100000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -261 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.975000 -1.287500 0.000000 0 -M V30 2 C 2.254200 -1.700000 0.000000 0 -M V30 3 C 2.975000 -0.462500 0.000000 0 -M V30 4 C 1.541700 -1.287500 0.000000 0 -M V30 5 N 2.254200 -0.050000 0.000000 0 -M V30 6 C 1.541700 -0.462500 0.000000 0 -M V30 7 C 2.254200 -2.525000 0.000000 0 -M V30 8 C 2.975000 -2.937500 0.000000 0 -M V30 9 C 1.541700 -2.937500 0.000000 0 -M V30 10 C 1.541700 -3.766700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 3 1 -M V30 3 1 4 2 -M V30 4 1 5 3 -M V30 5 1 6 5 -M V30 6 1 7 2 -M V30 7 2 8 7 -M V30 8 1 9 7 -M V30 9 2 10 9 -M V30 10 2 6 4 -M V30 END BOND -M V30 END CTAB -M END -> -262 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 9 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.475900 0.300000 0.000000 0 -M V30 2 C -1.427600 -0.258600 0.000000 0 -M V30 3 C 0.582800 -0.258600 0.000000 0 -M V30 4 C -2.382800 0.300000 0.000000 0 -M V30 5 C 1.524100 0.300000 0.000000 0 -M V30 6 F 0.165500 -1.193100 0.000000 0 -M V30 7 C -3.293100 -0.217200 0.000000 0 -M V30 8 F -2.031000 1.265500 0.000000 0 -M V30 9 C 2.462100 -0.258600 0.000000 0 -M V30 10 F 1.103400 1.237900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 5 10 -M V30 END BOND -M V30 END CTAB -M END -> -263 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 S 9.316700 -8.366700 0.000000 0 -M V30 2 C 7.275000 -9.754200 0.000000 0 -M V30 3 O 7.887500 -9.195800 0.000000 0 -M V30 4 O 9.316700 -9.191700 0.000000 0 -M V30 5 C 8.604200 -9.604200 0.000000 0 -M V30 6 C 9.316700 -7.541700 0.000000 0 -M V30 7 C 10.033300 -7.133300 0.000000 0 -M V30 8 C 8.604200 -7.133300 0.000000 0 -M V30 9 C 10.033300 -6.304200 0.000000 0 -M V30 10 C 8.604200 -6.304200 0.000000 0 -M V30 11 C 9.316700 -5.891700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 3 -M V30 2 1 3 5 -M V30 3 1 4 1 -M V30 4 1 5 4 -M V30 5 1 6 1 -M V30 6 2 7 6 -M V30 7 1 8 6 -M V30 8 1 9 7 -M V30 9 2 10 8 -M V30 10 2 11 9 -M V30 11 1 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -264 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -3.736000 -0.599000 0.000000 0 -M V30 2 N -0.684500 -1.968000 0.000000 0 -M V30 3 N -4.135500 2.709500 0.000000 0 -M V30 4 C -1.397500 4.706000 0.000000 0 -M V30 5 N -6.417000 -2.595500 0.000000 0 -M V30 6 C 1.654000 3.337000 0.000000 0 -M V30 7 N -11.807500 -6.588000 0.000000 0 -M V30 8 C -9.469000 -1.255000 0.000000 0 -M V30 9 C -6.018000 -5.903500 0.000000 0 -M V30 10 C -12.092500 -3.251500 0.000000 0 -M V30 11 C -8.699000 -7.957000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 1 -M V30 3 1 4 3 -M V30 4 1 5 1 -M V30 5 2 6 4 -M V30 6 1 7 11 -M V30 7 1 8 5 -M V30 8 1 9 5 -M V30 9 1 10 8 -M V30 10 1 11 9 -M V30 11 1 10 7 -M V30 END BOND -M V30 END CTAB -M END -> -265 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.930000 0.920000 0.000000 0 -M V30 2 N -1.740000 0.450000 0.000000 0 -M V30 3 N 2.330000 0.920000 0.000000 0 -M V30 4 O -0.120000 0.450000 0.000000 0 -M V30 5 C 0.700000 0.920000 0.000000 0 -M V30 6 C 1.520000 0.450000 0.000000 0 -M V30 7 C -2.550000 0.920000 0.000000 0 -M V30 8 C -0.930000 1.860000 0.000000 0 -M V30 9 C 0.700000 1.860000 0.000000 0 -M V30 10 C -2.550000 1.860000 0.000000 0 -M V30 11 C -1.740000 2.330000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 6 -M V30 3 1 4 1 -M V30 4 1 5 4 -M V30 5 1 6 5 -M V30 6 2 7 2 -M V30 7 2 8 1 -M V30 8 1 9 5 -M V30 9 2 10 11 -M V30 10 1 11 8 -M V30 11 1 10 7 -M V30 END BOND -M V30 END CTAB -M END -> -266 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.000000 0.651700 0.000000 0 -M V30 2 C 0.817200 1.124100 0.000000 0 -M V30 3 C -0.817200 1.124100 0.000000 0 -M V30 4 N 1.634500 0.651700 0.000000 0 -M V30 5 N 0.817200 2.069000 0.000000 0 -M V30 6 C 2.451700 1.124100 0.000000 0 -M V30 7 C 3.269000 0.651700 0.000000 0 -M V30 8 C 2.451700 2.069000 0.000000 0 -M V30 9 C 4.086200 1.124100 0.000000 0 -M V30 10 C 3.269000 2.537900 0.000000 0 -M V30 11 C 4.086200 2.069000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 6 2 6 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 2 8 10 -M V30 10 2 9 11 -M V30 11 1 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -267 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 6.772500 -2.661500 0.000000 0 -M V30 2 S 8.823000 -2.661500 0.000000 0 -M V30 3 N 5.739500 -0.901000 0.000000 0 -M V30 4 C 3.693000 -0.909000 0.000000 0 -M V30 5 N 5.762000 -4.450000 0.000000 0 -M V30 6 N 3.725000 -4.453000 0.000000 0 -M V30 7 C 2.690500 -2.682500 0.000000 0 -M V30 8 C 9.848000 -4.442500 0.000000 0 -M V30 9 C 11.898500 -4.442500 0.000000 0 -M V30 10 C 12.912000 -6.227500 0.000000 0 -M V30 11 C 11.875000 -7.990500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 8 9 -M V30 3 1 4 3 -M V30 4 1 1 3 -M V30 5 2 5 1 -M V30 6 1 6 5 -M V30 7 1 7 4 -M V30 8 2 7 6 -M V30 9 1 9 10 -M V30 10 2 11 10 -M V30 11 1 2 8 -M V30 END BOND -M V30 END CTAB -M END -> -268 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 3.174600 2.473600 0.000000 0 -M V30 2 C 1.664800 2.925200 0.000000 0 -M V30 3 C 3.707000 1.024500 0.000000 0 -M V30 4 C 4.044000 3.720500 0.000000 0 -M V30 5 C 1.664800 4.495600 0.000000 0 -M V30 6 N 0.337000 2.150100 0.000000 0 -M V30 7 C 5.169600 0.667300 0.000000 0 -M V30 8 N 3.174600 4.953900 0.000000 0 -M V30 9 C 0.337000 5.264000 0.000000 0 -M V30 10 C -1.011000 2.925200 0.000000 0 -M V30 11 N -1.011000 4.495600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 3 1 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 2 9 11 -M V30 11 1 5 8 -M V30 12 1 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -269 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -4.966300 2.751000 0.000000 0 -M V30 2 N -3.728400 1.867800 0.000000 0 -M V30 3 C -6.349100 2.113900 0.000000 0 -M V30 4 N -4.474000 4.198900 0.000000 0 -M V30 5 C -2.504900 2.808900 0.000000 0 -M V30 6 C -6.508300 0.593600 0.000000 0 -M V30 7 N -7.572600 3.004400 0.000000 0 -M V30 8 N -2.968200 4.198900 0.000000 0 -M V30 9 N -7.905600 -0.050700 0.000000 0 -M V30 10 C -8.969800 2.403500 0.000000 0 -M V30 11 C -9.121800 0.847000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 2 6 9 -M V30 9 1 7 10 -M V30 10 1 9 11 -M V30 11 2 5 8 -M V30 12 2 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -270 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.598400 -0.305200 0.000000 0 -M V30 2 C 0.919000 -0.759500 0.000000 0 -M V30 3 C 2.338900 -0.679900 0.000000 0 -M V30 4 O 0.178400 -0.384800 0.000000 0 -M V30 5 C 3.030100 -0.221400 0.000000 0 -M V30 6 C -0.512600 -0.839100 0.000000 0 -M V30 7 C 3.769600 -0.590300 0.000000 0 -M V30 8 N 2.975400 0.606800 0.000000 0 -M V30 9 C 4.460800 -0.131700 0.000000 0 -M V30 10 O 5.203500 -0.501000 0.000000 0 -M V30 11 O 4.409200 0.696100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 3 5 -M V30 2 1 4 6 -M V30 3 1 5 7 -M V30 4 1 1 2 -M V30 5 1 5 8 -M V30 6 2 1 3 -M V30 7 1 7 9 -M V30 8 1 2 4 -M V30 9 1 9 10 -M V30 10 2 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -271 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.610300 -1.193100 0.000000 0 -M V30 2 C -0.817200 -1.193100 0.000000 0 -M V30 3 C 1.327600 0.048300 0.000000 0 -M V30 4 O 1.327600 -2.431000 0.000000 0 -M V30 5 C -1.524100 0.048300 0.000000 0 -M V30 6 O -1.524100 -2.431000 0.000000 0 -M V30 7 C 0.610300 1.286200 0.000000 0 -M V30 8 C 2.762100 -2.431000 0.000000 0 -M V30 9 C -0.817200 1.286200 0.000000 0 -M V30 10 C -2.969000 -2.431000 0.000000 0 -M V30 11 Br -1.524100 2.527600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 2 5 9 -M V30 9 1 6 10 -M V30 10 1 9 11 -M V30 11 1 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -272 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.996600 -0.110300 0.000000 0 -M V30 2 C -0.293100 1.086200 0.000000 0 -M V30 3 C -0.306900 -1.279300 0.000000 0 -M V30 4 C -2.372400 -0.110300 0.000000 0 -M V30 5 C 1.100000 1.086200 0.000000 0 -M V30 6 C 1.100000 -1.279300 0.000000 0 -M V30 7 C -3.996600 -0.082800 0.000000 0 -M V30 8 C 1.800000 -0.110300 0.000000 0 -M V30 9 C 3.179300 -0.110300 0.000000 0 -M V30 10 O 3.896600 1.086200 0.000000 0 -M V30 11 O 3.869000 -1.306900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 2 9 11 -M V30 11 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -273 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.041400 -1.182800 0.000000 0 -M V30 2 C 0.100000 -0.810300 0.000000 0 -M V30 3 N 1.831000 -0.537900 0.000000 0 -M V30 4 N 0.965500 -2.169000 0.000000 0 -M V30 5 S -0.544800 -1.575900 0.000000 0 -M V30 6 C 1.658600 0.475900 0.000000 0 -M V30 7 C 2.424100 1.120700 0.000000 0 -M V30 8 C 0.717200 0.824100 0.000000 0 -M V30 9 C 2.251700 2.113800 0.000000 0 -M V30 10 C 0.544800 1.813800 0.000000 0 -M V30 11 C 1.313800 2.458600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 6 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 2 8 10 -M V30 10 2 9 11 -M V30 11 1 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -274 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 10 10 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.010200 -1.296200 0.000000 0 -M V30 2 C 0.572000 -2.035300 0.000000 0 -M V30 3 C 0.596700 -0.591500 0.000000 0 -M V30 4 O 1.840600 -1.305900 0.000000 0 -M V30 5 C -0.226200 -2.035300 0.000000 0 -M V30 6 C -0.239200 -0.591500 0.000000 0 -M V30 7 C -0.649200 -1.311300 0.000000 0 -M V30 8 C -1.479000 -1.311300 0.000000 0 -M V30 9 C -1.892600 -0.606600 0.000000 0 -M V30 10 C -2.705600 -0.612900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 5 -M V30 2 2 3 6 -M V30 3 2 5 7 -M V30 4 1 7 8 -M V30 5 2 8 9 -M V30 6 1 6 7 -M V30 7 1 9 10 -M V30 8 2 1 2 -M V30 9 1 1 3 -M V30 10 1 1 4 -M V30 END BOND -M V30 END CTAB -M END -> -275 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.031000 0.148300 0.000000 0 -M V30 2 N 1.348300 0.048300 0.000000 0 -M V30 3 C -0.806900 -0.996600 0.000000 0 -M V30 4 C -0.634500 1.393100 0.000000 0 -M V30 5 C 2.393100 0.951700 0.000000 0 -M V30 6 C 2.251700 -0.996600 0.000000 0 -M V30 7 C -2.186200 -0.896600 0.000000 0 -M V30 8 C -2.013800 1.493100 0.000000 0 -M V30 9 C 3.300000 -0.093100 0.000000 0 -M V30 10 C -2.789700 0.348300 0.000000 0 -M V30 11 C 4.203400 -1.141400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 2 7 10 -M V30 10 1 9 11 -M V30 11 1 6 9 -M V30 12 1 8 10 -M V30 END BOND -M V30 END CTAB -M END -> -276 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.680000 0.330000 0.000000 0 -M V30 2 N 1.350000 -0.090000 0.000000 0 -M V30 3 N 1.360000 1.510000 0.000000 0 -M V30 4 C 0.680000 1.110000 0.000000 0 -M V30 5 C -0.010000 -0.090000 0.000000 0 -M V30 6 O -0.630000 0.370000 0.000000 0 -M V30 7 C 2.030000 0.330000 0.000000 0 -M V30 8 C 2.030000 1.110000 0.000000 0 -M V30 9 C -0.250000 -0.840000 0.000000 0 -M V30 10 C -1.260000 -0.090000 0.000000 0 -M V30 11 C -1.020000 -0.840000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 4 -M V30 3 2 4 1 -M V30 4 1 5 1 -M V30 5 1 6 5 -M V30 6 2 7 2 -M V30 7 2 8 3 -M V30 8 1 9 5 -M V30 9 1 10 6 -M V30 10 1 11 9 -M V30 11 1 7 8 -M V30 12 1 11 10 -M V30 END BOND -M V30 END CTAB -M END -> -277 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 S 11.604000 -6.391500 0.000000 0 -M V30 2 N 10.875000 -5.166500 0.000000 0 -M V30 3 C 9.441500 -5.179000 0.000000 0 -M V30 4 C 8.287500 -6.029000 0.000000 0 -M V30 5 C 12.341500 -7.629000 0.000000 0 -M V30 6 C 11.641500 -8.866500 0.000000 0 -M V30 7 C 13.766500 -7.616500 0.000000 0 -M V30 8 C 14.529000 -11.329000 0.000000 0 -M V30 9 C 13.791500 -10.087500 0.000000 0 -M V30 10 C 12.366500 -10.104000 0.000000 0 -M V30 11 C 14.491500 -8.841500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 2 -M V30 3 1 4 3 -M V30 4 1 5 1 -M V30 5 1 6 5 -M V30 6 2 7 5 -M V30 7 1 8 9 -M V30 8 2 9 11 -M V30 9 2 10 6 -M V30 10 1 11 7 -M V30 11 1 10 9 -M V30 END BOND -M V30 END CTAB -M END -> -278 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 P 1.024100 0.820700 0.000000 0 -M V30 2 C -0.158600 1.127600 0.000000 0 -M V30 3 O 1.334500 2.034500 0.000000 0 -M V30 4 O 2.248300 0.503400 0.000000 0 -M V30 5 O 0.717200 -0.396600 0.000000 0 -M V30 6 C -1.027600 0.234500 0.000000 0 -M V30 7 C -0.693100 -0.948300 0.000000 0 -M V30 8 C -2.234500 0.551700 0.000000 0 -M V30 9 C -1.586200 -1.841400 0.000000 0 -M V30 10 C -3.120700 -0.331000 0.000000 0 -M V30 11 C -2.786200 -1.524100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 1 5 -M V30 5 1 2 6 -M V30 6 1 6 7 -M V30 7 2 6 8 -M V30 8 2 7 9 -M V30 9 1 8 10 -M V30 10 1 9 11 -M V30 11 2 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -279 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 14.876500 -9.072000 0.000000 0 -M V30 2 C 11.460500 -10.607500 0.000000 0 -M V30 3 C 11.460500 -9.483500 0.000000 0 -M V30 4 C 12.529500 -9.136000 0.000000 0 -M V30 5 C 14.314500 -10.045500 0.000000 0 -M V30 6 Cl 10.487000 -8.921500 0.000000 0 -M V30 7 N 13.190000 -10.045500 0.000000 0 -M V30 8 N 12.530000 -10.955000 0.000000 0 -M V30 9 N 14.314500 -8.098000 0.000000 0 -M V30 10 O 16.000000 -9.072000 0.000000 0 -M V30 11 N 13.191000 -8.098000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 3 -M V30 2 2 8 2 -M V30 3 1 7 4 -M V30 4 2 4 3 -M V30 5 1 8 7 -M V30 6 1 3 6 -M V30 7 1 5 7 -M V30 8 1 1 9 -M V30 9 2 10 1 -M V30 10 1 9 11 -M V30 11 1 1 5 -M V30 END BOND -M V30 END CTAB -M END -> -280 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.982800 -0.224100 0.000000 0 -M V30 2 S -1.206900 0.237900 0.000000 0 -M V30 3 N -1.982800 -1.134500 0.000000 0 -M V30 4 C -0.413800 -0.217200 0.000000 0 -M V30 5 C -2.769000 -1.586200 0.000000 0 -M V30 6 N -3.551700 -1.134500 0.000000 0 -M V30 7 C 0.358600 0.241400 0.000000 0 -M V30 8 C -0.413800 -1.120700 0.000000 0 -M V30 9 C 1.141400 -0.200000 0.000000 0 -M V30 10 C 0.369000 -1.569000 0.000000 0 -M V30 11 C 1.155200 -1.106900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 3 5 -M V30 5 1 4 7 -M V30 6 2 4 8 -M V30 7 2 7 9 -M V30 8 1 8 10 -M V30 9 1 9 11 -M V30 10 1 5 6 -M V30 11 2 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -281 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 3.124100 0.544800 0.000000 0 -M V30 2 N 2.055200 1.162100 0.000000 0 -M V30 3 C 3.727600 -0.527600 0.000000 0 -M V30 4 C 4.344800 0.537900 0.000000 0 -M V30 5 C 0.982800 0.548300 0.000000 0 -M V30 6 C 0.982800 -0.682800 0.000000 0 -M V30 7 C -0.075900 1.172400 0.000000 0 -M V30 8 C -0.075900 -1.296600 0.000000 0 -M V30 9 C -1.144800 0.548300 0.000000 0 -M V30 10 N -1.144800 -0.682800 0.000000 0 -M V30 11 C -2.210300 -1.300000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 5 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 1 8 10 -M V30 10 1 10 11 -M V30 11 1 3 4 -M V30 12 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -282 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.824100 -0.796600 0.000000 0 -M V30 2 C 0.431000 0.341400 0.000000 0 -M V30 3 N -0.162100 -1.520700 0.000000 0 -M V30 4 C 1.989700 -1.144800 0.000000 0 -M V30 5 C -0.772400 0.341400 0.000000 0 -M V30 6 C 1.148300 1.331000 0.000000 0 -M V30 7 C -1.144800 -0.810300 0.000000 0 -M V30 8 C 2.872400 -0.310300 0.000000 0 -M V30 9 O 2.351700 1.213800 0.000000 0 -M V30 10 Br 4.013800 -0.644800 0.000000 0 -M V30 11 C 3.062100 2.200000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 1 9 11 -M V30 11 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -283 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.306900 1.024100 0.000000 0 -M V30 2 O -0.548300 0.317200 0.000000 0 -M V30 3 N -0.865500 1.951700 0.000000 0 -M V30 4 C 0.331000 0.817200 0.000000 0 -M V30 5 N 0.144800 1.824100 0.000000 0 -M V30 6 C 1.269000 0.369000 0.000000 0 -M V30 7 C 1.348300 -0.641400 0.000000 0 -M V30 8 C 2.110300 0.962100 0.000000 0 -M V30 9 C 2.286200 -1.082800 0.000000 0 -M V30 10 C 3.048300 0.520700 0.000000 0 -M V30 11 C 3.127600 -0.493100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 2 6 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 2 8 10 -M V30 10 2 9 11 -M V30 11 2 4 5 -M V30 12 1 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -284 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.631000 0.189700 0.000000 0 -M V30 2 C -0.462100 -0.475900 0.000000 0 -M V30 3 C -1.631000 1.617200 0.000000 0 -M V30 4 C -2.796600 -0.475900 0.000000 0 -M V30 5 C -0.462100 -1.803400 0.000000 0 -M V30 6 N 1.872400 -0.475900 0.000000 0 -M V30 7 F -3.020700 1.193100 0.000000 0 -M V30 8 F -2.858600 2.320700 0.000000 0 -M V30 9 C -2.796600 -1.803400 0.000000 0 -M V30 10 S 0.703400 -2.469000 0.000000 0 -M V30 11 C -1.631000 -2.469000 0.000000 0 -M V30 12 C 1.872400 -1.803400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 1 5 10 -M V30 10 1 5 11 -M V30 11 2 6 12 -M V30 12 2 9 11 -M V30 13 1 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -285 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.918600 -0.894100 0.000000 0 -M V30 2 C -1.328300 -0.177700 0.000000 0 -M V30 3 C -0.088400 -0.894100 0.000000 0 -M V30 4 O -1.217800 -1.658500 0.000000 0 -M V30 5 C -0.918600 0.538700 0.000000 0 -M V30 6 O -2.146200 -0.051400 0.000000 0 -M V30 7 C 0.321200 -0.177700 0.000000 0 -M V30 8 C -2.008300 -1.907600 0.000000 0 -M V30 9 C -0.088400 0.538700 0.000000 0 -M V30 10 C -2.755600 -0.614800 0.000000 0 -M V30 11 C 1.151600 -0.177700 0.000000 0 -M V30 12 C -2.691100 -1.438900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 5 -M V30 2 1 2 6 -M V30 3 1 3 7 -M V30 4 1 4 8 -M V30 5 1 5 9 -M V30 6 1 6 10 -M V30 7 1 7 11 -M V30 8 1 8 12 -M V30 9 2 7 9 -M V30 10 1 10 12 -M V30 11 1 1 2 -M V30 12 2 1 3 -M V30 13 1 1 4 -M V30 END BOND -M V30 END CTAB -M END -> -286 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.089000 -0.634100 0.000000 0 -M V30 2 C 1.431300 0.111200 0.000000 0 -M V30 3 N -1.253300 0.111200 0.000000 0 -M V30 4 N -0.215100 -2.150700 0.000000 0 -M V30 5 C 2.766200 -0.634100 0.000000 0 -M V30 6 C 1.431300 1.668600 0.000000 0 -M V30 7 C -2.369500 -0.915900 0.000000 0 -M V30 8 C -1.416500 1.668600 0.000000 0 -M V30 9 N -1.724300 -2.310100 0.000000 0 -M V30 10 C 4.097400 0.111200 0.000000 0 -M V30 11 C 2.766200 -2.169200 0.000000 0 -M V30 12 C 2.766200 2.451000 0.000000 0 -M V30 13 C 4.097400 1.668600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 2 5 10 -M V30 10 1 5 11 -M V30 11 1 6 12 -M V30 12 1 10 13 -M V30 13 2 7 9 -M V30 14 2 12 13 -M V30 END BOND -M V30 END CTAB -M END -> -287 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.155200 0.255200 0.000000 0 -M V30 2 N 1.917200 -0.793100 0.000000 0 -M V30 3 C -0.120700 0.255200 0.000000 0 -M V30 4 N 1.951700 1.296600 0.000000 0 -M V30 5 C 3.169000 -0.410300 0.000000 0 -M V30 6 C 1.510300 -2.017200 0.000000 0 -M V30 7 C -0.886200 1.334500 0.000000 0 -M V30 8 C -0.910300 -0.803400 0.000000 0 -M V30 9 N 3.158600 0.889700 0.000000 0 -M V30 10 C 2.369000 -2.975900 0.000000 0 -M V30 11 C -2.124100 0.913800 0.000000 0 -M V30 12 S -2.182800 -0.351700 0.000000 0 -M V30 13 C -3.165500 1.689700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 3 8 -M V30 8 1 4 9 -M V30 9 1 6 10 -M V30 10 2 7 11 -M V30 11 1 8 12 -M V30 12 1 11 13 -M V30 13 2 5 9 -M V30 14 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -288 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.841400 0.472400 0.000000 0 -M V30 2 C -1.293100 1.251700 0.000000 0 -M V30 3 C 0.058600 0.472400 0.000000 0 -M V30 4 C -1.293100 -0.306900 0.000000 0 -M V30 5 C -0.841400 2.034500 0.000000 0 -M V30 6 C 0.506900 1.251700 0.000000 0 -M V30 7 N -0.841400 -1.086200 0.000000 0 -M V30 8 C 0.058600 2.034500 0.000000 0 -M V30 9 N -1.293100 -1.869000 0.000000 0 -M V30 10 C -0.841400 -2.648300 0.000000 0 -M V30 11 N 0.058600 -2.648300 0.000000 0 -M V30 12 S -1.293100 -3.427600 0.000000 0 -M V30 13 C 0.506900 -3.427600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 2 10 12 -M V30 12 1 11 13 -M V30 13 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -289 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.017200 0.079300 0.000000 0 -M V30 2 C -2.110300 0.703400 0.000000 0 -M V30 3 C -1.017200 -1.169000 0.000000 0 -M V30 4 C 0.041400 0.703400 0.000000 0 -M V30 5 C -3.169000 0.079300 0.000000 0 -M V30 6 C -2.110300 -1.796600 0.000000 0 -M V30 7 C 1.134500 0.117200 0.000000 0 -M V30 8 C -3.169000 -1.210300 0.000000 0 -M V30 9 C 2.193100 0.744800 0.000000 0 -M V30 10 S -4.186200 -1.879300 0.000000 0 -M V30 11 O 3.286200 0.117200 0.000000 0 -M V30 12 O 2.193100 1.958600 0.000000 0 -M V30 13 C 4.344800 0.703400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 8 10 -M V30 10 1 9 11 -M V30 11 2 9 12 -M V30 12 1 11 13 -M V30 13 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -290 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.206900 -0.200000 0.000000 0 -M V30 2 N -1.206900 0.706900 0.000000 0 -M V30 3 C -0.417200 -0.665500 0.000000 0 -M V30 4 O -0.424100 1.155200 0.000000 0 -M V30 5 S 0.479300 1.155200 0.000000 0 -M V30 6 C 1.382800 1.155200 0.000000 0 -M V30 7 C 1.837900 0.365500 0.000000 0 -M V30 8 C 1.837900 1.937900 0.000000 0 -M V30 9 C 2.741400 0.365500 0.000000 0 -M V30 10 C 2.737900 1.937900 0.000000 0 -M V30 11 C 3.193100 1.155200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 2 6 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 2 8 10 -M V30 10 2 9 11 -M V30 11 1 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -291 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 8.396200 5.000000 0.000000 0 -M V30 2 C 9.221600 5.000000 0.000000 0 -M V30 3 N 9.476700 5.783500 0.000000 0 -M V30 4 C 8.808000 6.269900 0.000000 0 -M V30 5 N 8.144800 5.783500 0.000000 0 -M V30 6 C 7.359500 6.038500 0.000000 0 -M V30 7 C 7.182800 6.845700 0.000000 0 -M V30 8 C 6.395700 7.091700 0.000000 0 -M V30 9 C 5.785300 6.535900 0.000000 0 -M V30 10 C 5.969300 5.727000 0.000000 0 -M V30 11 C 6.754600 5.482800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 4 5 -M V30 2 1 5 1 -M V30 3 2 6 7 -M V30 4 1 7 8 -M V30 5 2 8 9 -M V30 6 1 9 10 -M V30 7 2 10 11 -M V30 8 1 11 6 -M V30 9 1 5 6 -M V30 10 1 1 2 -M V30 11 1 2 3 -M V30 12 1 3 4 -M V30 END BOND -M V30 END CTAB -M END -> -292 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 4.462500 -1.079200 0.000000 0 -M V30 2 C 4.462500 -0.254200 0.000000 0 -M V30 3 C 5.891700 -1.079200 0.000000 0 -M V30 4 C 5.175000 -1.491700 0.000000 0 -M V30 5 N 5.175000 0.158300 0.000000 0 -M V30 6 C 6.612500 -1.491700 0.000000 0 -M V30 7 C 7.325000 -1.079200 0.000000 0 -M V30 8 C 5.891700 -0.254200 0.000000 0 -M V30 9 C 7.325000 -0.250000 0.000000 0 -M V30 10 C 8.037500 0.162500 0.000000 0 -M V30 11 C 8.758300 -0.250000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 4 -M V30 3 1 4 1 -M V30 4 1 5 2 -M V30 5 1 6 3 -M V30 6 1 7 6 -M V30 7 1 8 3 -M V30 8 1 9 7 -M V30 9 2 10 9 -M V30 10 1 11 10 -M V30 11 2 5 8 -M V30 END BOND -M V30 END CTAB -M END -> -293 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 B 1.727600 0.486200 0.000000 0 -M V30 2 C 0.862100 0.000000 0.000000 0 -M V30 3 O 2.558600 0.103400 0.000000 0 -M V30 4 O 1.810300 1.393100 0.000000 0 -M V30 5 C -0.031000 0.486200 0.000000 0 -M V30 6 C 0.862100 -0.989700 0.000000 0 -M V30 7 C 3.217200 0.775900 0.000000 0 -M V30 8 C 2.744800 1.575900 0.000000 0 -M V30 9 C -0.872400 0.000000 0.000000 0 -M V30 10 C -0.031000 -1.472400 0.000000 0 -M V30 11 C -0.872400 -0.989700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 2 5 9 -M V30 9 1 6 10 -M V30 10 1 9 11 -M V30 11 1 7 8 -M V30 12 2 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -294 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.200000 0.189700 0.000000 0 -M V30 2 S 0.824100 -0.324100 0.000000 0 -M V30 3 N -1.265500 -0.324100 0.000000 0 -M V30 4 N -0.017200 1.327600 0.000000 0 -M V30 5 C 1.596600 0.520700 0.000000 0 -M V30 6 C -2.217200 0.300000 0.000000 0 -M V30 7 N 1.117200 1.510300 0.000000 0 -M V30 8 C 2.769000 0.334500 0.000000 0 -M V30 9 C -3.244800 -0.213800 0.000000 0 -M V30 10 C 3.206900 -0.727600 0.000000 0 -M V30 11 Cl -4.196600 0.410300 0.000000 0 -M V30 12 C 2.510300 -1.644800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 1 9 11 -M V30 11 1 10 12 -M V30 12 2 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -295 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.113300 0.609400 0.000000 0 -M V30 2 C 1.362500 -0.206000 0.000000 0 -M V30 3 C 0.297100 0.609400 0.000000 0 -M V30 4 N 0.687000 -0.675800 0.000000 0 -M V30 5 S 2.135200 -0.492600 0.000000 0 -M V30 6 N 0.001000 -0.132300 0.000000 0 -M V30 7 C 2.271600 -1.298300 0.000000 0 -M V30 8 C 3.058100 -1.580600 0.000000 0 -M V30 9 C 1.642800 -1.823700 0.000000 0 -M V30 10 C 3.194400 -2.406400 0.000000 0 -M V30 11 C 1.782600 -2.646000 0.000000 0 -M V30 12 C 2.551200 -2.935900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 5 7 -M V30 7 1 7 8 -M V30 8 2 7 9 -M V30 9 2 8 10 -M V30 10 1 9 11 -M V30 11 1 10 12 -M V30 12 1 4 6 -M V30 13 2 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -296 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.593100 -0.448300 0.000000 0 -M V30 2 C 0.762100 0.031000 0.000000 0 -M V30 3 C 1.593100 -1.406900 0.000000 0 -M V30 4 C 2.424100 0.031000 0.000000 0 -M V30 5 C -0.069000 -0.448300 0.000000 0 -M V30 6 C 2.424100 -1.886200 0.000000 0 -M V30 7 C 3.251700 -0.448300 0.000000 0 -M V30 8 C -0.900000 0.031000 0.000000 0 -M V30 9 C 3.251700 -1.406900 0.000000 0 -M V30 10 S -1.731000 -0.448300 0.000000 0 -M V30 11 C -2.562100 0.031000 0.000000 0 -M V30 12 S -3.393100 -0.448300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 2 5 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -297 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.934500 0.579300 0.000000 0 -M V30 2 C -1.934500 1.727600 0.000000 0 -M V30 3 N -1.041400 0.124100 0.000000 0 -M V30 4 C -2.927600 0.003400 0.000000 0 -M V30 5 C -0.148300 1.727600 0.000000 0 -M V30 6 C -2.927600 2.303400 0.000000 0 -M V30 7 C -0.148300 0.713800 0.000000 0 -M V30 8 C -1.041400 -1.037900 0.000000 0 -M V30 9 C -3.920700 0.579300 0.000000 0 -M V30 10 C -3.920700 1.727600 0.000000 0 -M V30 11 C -0.037900 -1.613800 0.000000 0 -M V30 12 C 0.979300 -1.027600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 2 4 9 -M V30 9 2 6 10 -M V30 10 1 8 11 -M V30 11 1 11 12 -M V30 12 1 5 7 -M V30 13 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -298 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.589700 1.393100 0.000000 0 -M V30 2 C -0.589700 0.034500 0.000000 0 -M V30 3 C -1.755200 2.075900 0.000000 0 -M V30 4 C 0.589700 2.075900 0.000000 0 -M V30 5 C -1.755200 -0.637900 0.000000 0 -M V30 6 C -2.931000 1.393100 0.000000 0 -M V30 7 O 1.765500 1.393100 0.000000 0 -M V30 8 O 0.589700 3.434500 0.000000 0 -M V30 9 C -2.931000 0.034500 0.000000 0 -M V30 10 C -1.755200 -1.986200 0.000000 0 -M V30 11 C 2.931000 2.075900 0.000000 0 -M V30 12 N -1.755200 -3.344800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 2 4 8 -M V30 8 2 5 9 -M V30 9 1 5 10 -M V30 10 1 7 11 -M V30 11 3 10 12 -M V30 12 1 6 9 -M V30 END BOND -M V30 END CTAB -M END -> -299 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.165500 -0.044800 0.000000 0 -M V30 2 C 0.806900 -0.044800 0.000000 0 -M V30 3 N -0.710300 -0.831000 0.000000 0 -M V30 4 N -0.710300 0.737900 0.000000 0 -M V30 5 C 1.300000 -0.893100 0.000000 0 -M V30 6 C 1.289700 0.803400 0.000000 0 -M V30 7 C -1.665500 -0.537900 0.000000 0 -M V30 8 C -1.665500 0.444800 0.000000 0 -M V30 9 C -2.513800 -1.031000 0.000000 0 -M V30 10 C -2.513800 0.937900 0.000000 0 -M V30 11 C -3.362100 -0.537900 0.000000 0 -M V30 12 C -3.362100 0.444800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 7 9 -M V30 9 1 8 10 -M V30 10 2 9 11 -M V30 11 2 10 12 -M V30 12 2 7 8 -M V30 13 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -300 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 P -1.106900 -0.393100 0.000000 0 -M V30 2 C 0.048300 0.062100 0.000000 0 -M V30 3 O -2.179300 -1.048300 0.000000 0 -M V30 4 O -1.848300 0.596600 0.000000 0 -M V30 5 C 1.034500 -0.727600 0.000000 0 -M V30 6 C 0.241400 1.282800 0.000000 0 -M V30 7 C -3.279300 -0.444800 0.000000 0 -M V30 8 C -3.089700 0.458600 0.000000 0 -M V30 9 O 2.203400 -0.265500 0.000000 0 -M V30 10 C 1.406900 1.741400 0.000000 0 -M V30 11 C 3.179300 -1.055200 0.000000 0 -M V30 12 C 4.344800 -0.589700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 9 11 -M V30 11 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -301 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.800000 -0.710000 0.000000 0 -M V30 2 C 1.460000 -0.710000 0.000000 0 -M V30 3 C -0.980000 -0.230000 0.000000 0 -M V30 4 C 0.640000 -0.230000 0.000000 0 -M V30 5 C -0.170000 1.180000 0.000000 0 -M V30 6 C -0.170000 2.110000 0.000000 0 -M V30 7 C -0.170000 -0.700000 0.000000 0 -M V30 8 C 0.640000 0.710000 0.000000 0 -M V30 9 C -0.980000 0.710000 0.000000 0 -M V30 10 N -0.970000 2.570000 0.000000 0 -M V30 11 F 2.280000 -0.240000 0.000000 0 -M V30 12 F 0.990000 -1.520000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 4 -M V30 2 1 3 1 -M V30 3 2 4 7 -M V30 4 1 5 9 -M V30 5 1 6 5 -M V30 6 1 7 3 -M V30 7 1 8 4 -M V30 8 2 9 3 -M V30 9 2 10 6 -M V30 10 1 11 2 -M V30 11 1 12 2 -M V30 12 2 5 8 -M V30 END BOND -M V30 END CTAB -M END -> -302 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -2.695800 -2.762500 0.000000 0 -M V30 2 C -2.400000 -3.400000 0.000000 0 -M V30 3 C -2.633300 -2.054200 0.000000 0 -M V30 4 N -3.383300 -2.916700 0.000000 0 -M V30 5 C -2.745800 -4.016700 0.000000 0 -M V30 6 N -3.745800 -2.304200 0.000000 0 -M V30 7 N -1.708300 -3.541700 0.000000 0 -M V30 8 C -3.283300 -1.766700 0.000000 0 -M V30 9 N -2.262500 -4.541700 0.000000 0 -M V30 10 C -2.020800 -1.700000 0.000000 0 -M V30 11 O -1.620800 -4.241700 0.000000 0 -M V30 12 N -1.408300 -2.050000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 1 -M V30 4 1 5 2 -M V30 5 2 6 4 -M V30 6 2 7 2 -M V30 7 2 8 3 -M V30 8 2 9 5 -M V30 9 1 10 3 -M V30 10 1 11 7 -M V30 11 1 12 10 -M V30 12 1 6 8 -M V30 13 1 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -303 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.600000 0.403400 0.000000 0 -M V30 2 C -0.600000 -0.724100 0.000000 0 -M V30 3 O 0.389700 0.969000 0.000000 0 -M V30 4 C -1.589700 -1.289700 0.000000 0 -M V30 5 C 0.389700 -1.289700 0.000000 0 -M V30 6 C 1.379300 0.403400 0.000000 0 -M V30 7 C -2.579300 0.403400 0.000000 0 -M V30 8 C -2.579300 -0.724100 0.000000 0 -M V30 9 C 1.379300 -0.724100 0.000000 0 -M V30 10 O -3.672400 0.758600 0.000000 0 -M V30 11 O -3.672400 -1.079300 0.000000 0 -M V30 12 C -4.344800 -0.162100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 8 -M V30 7 1 5 9 -M V30 8 1 7 10 -M V30 9 1 8 11 -M V30 10 1 10 12 -M V30 11 2 6 9 -M V30 12 1 7 8 -M V30 13 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -304 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.251700 -0.193100 0.000000 0 -M V30 2 C -0.517200 0.913800 0.000000 0 -M V30 3 C 1.641400 -0.193100 0.000000 0 -M V30 4 N -0.517200 -1.293100 0.000000 0 -M V30 5 C -1.803400 0.489700 0.000000 0 -M V30 6 C 2.296600 -1.382800 0.000000 0 -M V30 7 C -1.803400 -0.875900 0.000000 0 -M V30 8 N -2.917200 1.300000 0.000000 0 CHG=1 -M V30 9 O 3.682800 -1.382800 0.000000 0 -M V30 10 O 1.637900 -2.569000 0.000000 0 -M V30 11 O -2.900000 -1.682800 0.000000 0 -M V30 12 O -2.793100 2.658600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 2 8 12 -M V30 12 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -305 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.631000 -1.093100 0.000000 0 -M V30 2 C 0.393100 -1.665500 0.000000 0 -M V30 3 C -0.672400 0.048300 0.000000 0 -M V30 4 C -1.620700 -2.813800 0.000000 0 -M V30 5 C 0.393100 -2.813800 0.000000 0 -M V30 6 C 0.344800 0.634500 0.000000 0 -M V30 7 C -1.644800 0.634500 0.000000 0 -M V30 8 N -0.631000 -3.382800 0.000000 0 -M V30 9 N -2.693100 -3.165500 0.000000 0 -M V30 10 C 0.344800 1.758600 0.000000 0 -M V30 11 C -1.620700 1.758600 0.000000 0 -M V30 12 C -0.631000 2.337900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 2 5 -M V30 4 2 3 6 -M V30 5 1 3 7 -M V30 6 1 4 8 -M V30 7 2 4 9 -M V30 8 1 6 10 -M V30 9 2 7 11 -M V30 10 2 10 12 -M V30 11 1 5 8 -M V30 12 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -306 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.582800 -2.286200 0.000000 0 -M V30 2 N 1.589700 -1.910300 0.000000 0 -M V30 3 N -0.241400 -1.600000 0.000000 0 -M V30 4 N 0.403400 -3.351700 0.000000 0 -M V30 5 C 2.427600 -2.606900 0.000000 0 -M V30 6 C 1.782800 -0.831000 0.000000 0 -M V30 7 P -0.058600 -0.541400 0.000000 0 -M V30 8 C 3.434500 -2.234500 0.000000 0 -M V30 9 O 1.006900 -0.724100 0.000000 0 -M V30 10 O 0.117200 0.524100 0.000000 0 -M V30 11 O -1.124100 -0.362100 0.000000 0 -M V30 12 O 4.269000 -2.927600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 7 10 -M V30 10 2 7 11 -M V30 11 2 8 12 -M V30 END BOND -M V30 END CTAB -M END -> -307 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.131000 0.231000 0.000000 0 -M V30 2 C -0.906900 -0.662100 0.000000 0 -M V30 3 C 1.027600 0.031000 0.000000 0 -M V30 4 C -2.075900 -0.448300 0.000000 0 -M V30 5 C -0.503400 -1.782800 0.000000 0 -M V30 6 C 1.424100 -1.093100 0.000000 0 -M V30 7 N 1.796600 0.924100 0.000000 0 -M V30 8 C -2.841400 -1.351700 0.000000 0 -M V30 9 C -1.275900 -2.686200 0.000000 0 -M V30 10 C 2.593100 -1.306900 0.000000 0 -M V30 11 C 2.965500 0.710300 0.000000 0 -M V30 12 C -2.444800 -2.469000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 2 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 2 8 12 -M V30 12 1 9 12 -M V30 END BOND -M V30 END CTAB -M END -> -308 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.555200 0.620700 0.000000 0 -M V30 2 C -1.269000 1.862100 0.000000 0 -M V30 3 C 0.879300 0.620700 0.000000 0 -M V30 4 C -1.269000 -0.620700 0.000000 0 -M V30 5 C -0.555200 3.100000 0.000000 0 -M V30 6 O -2.700000 1.862100 0.000000 0 -M V30 7 C 1.593100 1.862100 0.000000 0 -M V30 8 N -0.555200 -1.862100 0.000000 0 -M V30 9 C 0.879300 3.100000 0.000000 0 -M V30 10 C -3.417200 0.620700 0.000000 0 -M V30 11 Br 3.027600 1.862100 0.000000 0 -M V30 12 C -1.269000 -3.100000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 7 11 -M V30 11 1 8 12 -M V30 12 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -309 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.427600 -1.258600 0.000000 0 -M V30 2 N -1.831000 -1.258600 0.000000 0 -M V30 3 C 0.251700 -0.051700 0.000000 0 -M V30 4 C 0.310300 -2.496600 0.000000 0 -M V30 5 C -2.637900 -0.110300 0.000000 0 -M V30 6 N -2.648300 -2.396600 0.000000 0 -M V30 7 C 1.713800 0.017200 0.000000 0 -M V30 8 C 1.772400 -2.437900 0.000000 0 -M V30 9 N -4.072400 -0.531000 0.000000 0 -M V30 10 N -4.072400 -1.927600 0.000000 0 -M V30 11 C 2.441400 -1.189700 0.000000 0 -M V30 12 C 2.420700 1.265500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 2 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 1 7 12 -M V30 12 2 8 11 -M V30 13 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -310 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 Er -1.420700 0.289700 0.000000 0 -M V30 2 O -1.420700 1.389700 0.000000 0 -M V30 3 O -0.444800 -0.255200 0.000000 0 -M V30 4 O -2.389700 -0.279300 0.000000 0 -M V30 5 C -0.465500 1.965500 0.000000 0 -M V30 6 C -0.444800 -1.382800 0.000000 0 -M V30 7 C -3.365500 0.289700 0.000000 0 -M V30 8 C 0.493100 1.396600 0.000000 0 -M V30 9 C -1.420700 -1.965500 0.000000 0 -M V30 10 C 1.479300 1.958600 0.000000 0 -M V30 11 C 0.482800 0.269000 0.000000 0 -M V30 12 C 2.458600 1.389700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 1 8 11 -M V30 11 1 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -311 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.831000 1.258600 0.000000 0 -M V30 2 C -0.227600 1.275900 0.000000 0 -M V30 3 C 1.134500 0.234500 0.000000 0 -M V30 4 C -0.582800 0.275900 0.000000 0 -M V30 5 S 0.255200 -0.369000 0.000000 0 -M V30 6 N 2.141400 -0.120700 0.000000 0 -M V30 7 C 2.334500 -1.169000 0.000000 0 -M V30 8 C 1.527600 -1.862100 0.000000 0 -M V30 9 C 1.720700 -2.900000 0.000000 0 -M V30 10 C 0.524100 -1.496600 0.000000 0 -M V30 11 C 0.917200 -3.593100 0.000000 0 -M V30 12 C -0.282800 -2.189700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 2 2 4 -M V30 4 1 3 5 -M V30 5 1 3 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 2 8 10 -M V30 10 2 9 11 -M V30 11 1 10 12 -M V30 12 1 4 5 -M V30 END BOND -M V30 END CTAB -M END -> -312 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.993100 0.420700 0.000000 0 -M V30 2 C 2.324100 1.072400 0.000000 0 -M V30 3 C 2.858600 -0.500000 0.000000 0 -M V30 4 C 3.913800 0.575900 0.000000 0 -M V30 5 O 1.403400 0.913800 0.000000 0 -M V30 6 C 2.458600 1.996600 0.000000 0 -M V30 7 S 3.696600 -0.913800 0.000000 0 -M V30 8 C 4.344800 -0.244800 0.000000 0 -M V30 9 C 0.965500 1.741400 0.000000 0 -M V30 10 C 1.624100 2.406900 0.000000 0 -M V30 11 C 0.041400 1.872400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 9 11 -M V30 11 1 7 8 -M V30 12 2 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -313 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 O 11.740500 -14.428000 0.000000 0 -M V30 2 C 14.428000 -12.872000 0.000000 0 -M V30 3 C 14.428000 -16.000000 0.000000 0 -M V30 4 C 3.646500 -0.346000 0.000000 0 -M V30 5 O 11.740500 -8.173000 0.000000 0 -M V30 6 C 9.021500 -3.458000 0.000000 0 -M V30 7 C 14.428000 -9.729000 0.000000 0 -M V30 8 C 3.646500 -3.458000 0.000000 0 -M V30 9 C 9.021500 -0.346000 0.000000 0 -M V30 10 C 6.334000 -5.014000 0.000000 0 -M V30 11 C 11.756500 -5.061000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 2 4 8 -M V30 4 1 5 7 -M V30 5 1 6 11 -M V30 6 1 7 2 -M V30 7 1 8 10 -M V30 8 1 9 6 -M V30 9 2 10 6 -M V30 10 1 11 5 -M V30 11 1 3 2 -M V30 END BOND -M V30 END CTAB -M END -> -314 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.093100 0.765500 0.000000 0 -M V30 2 C -0.093100 -0.669000 0.000000 0 -M V30 3 C -1.331000 1.482800 0.000000 0 -M V30 4 C 1.137900 1.482800 0.000000 0 -M V30 5 N 1.137900 -1.389700 0.000000 0 -M V30 6 C -1.331000 -1.389700 0.000000 0 -M V30 7 C -2.582800 0.765500 0.000000 0 -M V30 8 C 2.372400 0.765500 0.000000 0 -M V30 9 C 2.372400 -0.669000 0.000000 0 -M V30 10 C -2.582800 -0.669000 0.000000 0 -M V30 11 Cl -3.817200 1.482800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 2 4 8 -M V30 8 2 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 1 7 10 -M V30 12 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -315 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 O 0.172000 0.652700 0.000000 0 -M V30 2 C -0.207300 -0.519700 0.000000 0 -M V30 3 C 0.785800 0.221700 0.000000 0 -M V30 4 C 0.547800 -0.519700 0.000000 0 -M V30 5 C 1.496100 0.483700 0.000000 0 -M V30 6 N 2.078900 0.001000 0.000000 0 -M V30 7 N 2.782300 0.263000 0.000000 0 -M V30 8 C 3.385800 -0.164500 0.000000 0 -M V30 9 C 2.975400 0.976800 0.000000 0 -M V30 10 C 4.006500 0.294100 0.000000 0 -M V30 11 N 3.747800 1.001000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 3 -M V30 2 1 2 4 -M V30 3 1 3 5 -M V30 4 2 5 6 -M V30 5 1 6 7 -M V30 6 1 7 8 -M V30 7 1 7 9 -M V30 8 1 8 10 -M V30 9 2 9 11 -M V30 10 2 3 4 -M V30 11 1 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -316 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.255200 0.924100 0.000000 0 -M V30 2 N -0.272400 0.348300 0.000000 0 -M V30 3 C -1.255200 2.055200 0.000000 0 -M V30 4 N -2.244800 0.348300 0.000000 0 -M V30 5 C 0.817200 0.651700 0.000000 0 -M V30 6 C 1.613800 -0.148300 0.000000 0 -M V30 7 C 1.334500 -1.237900 0.000000 0 -M V30 8 C 2.706900 0.151700 0.000000 0 -M V30 9 C 2.127600 -2.037900 0.000000 0 -M V30 10 C 3.517200 -0.637900 0.000000 0 -M V30 11 C 3.227600 -1.734500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 5 6 -M V30 6 2 6 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 2 8 10 -M V30 10 2 9 11 -M V30 11 1 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -317 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.255200 -1.179300 0.000000 0 -M V30 2 C 0.389700 -1.562100 0.000000 0 -M V30 3 C -0.089700 -0.434500 0.000000 0 -M V30 4 C 0.972400 -1.037900 0.000000 0 -M V30 5 C 0.648300 -0.358600 0.000000 0 -M V30 6 C 1.710300 -1.086200 0.000000 0 -M V30 7 C 1.058600 0.265500 0.000000 0 -M V30 8 C 2.141400 -0.462100 0.000000 0 -M V30 9 C 1.813800 0.224100 0.000000 0 -M V30 10 C 0.741400 0.962100 0.000000 0 -M V30 11 N 1.162100 1.596600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 1 7 10 -M V30 10 1 10 11 -M V30 11 1 4 5 -M V30 12 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -318 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.313700 0.381400 0.000000 0 -M V30 2 N -0.813100 0.767900 0.000000 0 -M V30 3 N -2.409100 -1.179400 0.000000 0 -M V30 4 C -3.513200 1.340000 0.000000 0 -M V30 5 C -0.005000 -0.547100 0.000000 0 -M V30 6 S -1.028900 -1.751600 0.000000 0 -M V30 7 C -4.958600 0.803000 0.000000 0 -M V30 8 N 1.525700 -0.642400 0.000000 0 -M V30 9 C 2.394000 0.652500 0.000000 0 -M V30 10 C 3.924700 0.557100 0.000000 0 -M V30 11 O 4.762900 1.852000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -319 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.279600 -0.591800 0.000000 0 -M V30 2 C -0.994000 -0.179300 0.000000 0 -M V30 3 O -0.994000 0.645700 0.000000 0 -M V30 4 C -0.279600 1.058200 0.000000 0 -M V30 5 N 0.434900 0.645700 0.000000 0 -M V30 6 C 1.149400 1.058200 0.000000 0 -M V30 7 C 1.149400 1.883200 0.000000 0 -M V30 8 C 0.434900 2.295700 0.000000 0 -M V30 9 C -0.279600 1.883200 0.000000 0 -M V30 10 C -1.708500 -0.591800 0.000000 0 -M V30 11 C -1.708500 -1.416800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 2 4 5 -M V30 5 1 5 6 -M V30 6 2 6 7 -M V30 7 1 7 8 -M V30 8 2 8 9 -M V30 9 1 4 9 -M V30 10 1 2 10 -M V30 11 2 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -320 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.486200 1.372400 0.000000 0 -M V30 2 C 0.475900 1.934500 0.000000 0 -M V30 3 C -1.455200 1.927600 0.000000 0 -M V30 4 C -0.479300 0.269000 0.000000 0 -M V30 5 N 0.472400 3.051700 0.000000 0 -M V30 6 C -1.462100 3.048300 0.000000 0 -M V30 7 C -2.417200 1.379300 0.000000 0 -M V30 8 C -1.437900 -0.289700 0.000000 0 -M V30 9 C -2.417200 3.593100 0.000000 0 -M V30 10 C -3.375900 1.934500 0.000000 0 -M V30 11 C -3.375900 3.041400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 2 6 9 -M V30 9 1 7 10 -M V30 10 1 9 11 -M V30 11 1 5 6 -M V30 12 2 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -321 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.255200 -0.762100 0.000000 0 -M V30 2 C 1.255200 0.672400 0.000000 0 -M V30 3 C 0.017200 -1.482800 0.000000 0 -M V30 4 S 2.493100 -1.482800 0.000000 0 -M V30 5 C 0.017200 1.393100 0.000000 0 -M V30 6 C 2.493100 1.393100 0.000000 0 -M V30 7 C -1.220700 -0.762100 0.000000 0 -M V30 8 O 3.151700 -0.272400 0.000000 0 -M V30 9 C -1.220700 0.672400 0.000000 0 -M V30 10 S -2.458600 -1.482800 0.000000 0 -M V30 11 O -3.162100 -0.244800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 2 4 8 -M V30 8 2 5 9 -M V30 9 1 7 10 -M V30 10 1 10 11 -M V30 11 1 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -322 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.010300 0.037900 0.000000 0 -M V30 2 C -0.041400 1.100000 0.000000 0 -M V30 3 C -0.582800 -1.324100 0.000000 0 -M V30 4 C -2.424100 0.344800 0.000000 0 -M V30 5 C 1.348300 0.782800 0.000000 0 -M V30 6 Cl -0.469000 2.475900 0.000000 0 -M V30 7 C 0.803400 -1.631000 0.000000 0 -M V30 8 Cl -1.551700 -2.379300 0.000000 0 -M V30 9 N -3.393100 -0.700000 0.000000 0 -M V30 10 C 1.779300 -0.575900 0.000000 0 -M V30 11 Cl 3.186200 -0.886200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 1 5 10 -M V30 10 1 10 11 -M V30 11 2 7 10 -M V30 END BOND -M V30 END CTAB -M END -> -323 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 6.195800 -7.125000 0.000000 0 -M V30 2 C 5.479200 -6.712500 0.000000 0 -M V30 3 C 6.195800 -7.954200 0.000000 0 -M V30 4 N 5.479200 -8.366700 0.000000 0 -M V30 5 C 4.766700 -7.954200 0.000000 0 -M V30 6 C 4.766700 -7.125000 0.000000 0 -M V30 7 O 6.908300 -8.362500 0.000000 0 -M V30 8 C 5.470800 -5.887500 0.000000 0 -M V30 9 F 5.683300 -5.087500 0.000000 0 -M V30 10 C 6.908300 -6.708300 0.000000 0 -M V30 11 N 7.620800 -6.287500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 3 1 -M V30 3 2 4 3 -M V30 4 1 8 2 -M V30 5 1 10 1 -M V30 6 2 5 6 -M V30 7 1 6 2 -M V30 8 1 7 3 -M V30 9 1 9 8 -M V30 10 1 4 5 -M V30 11 3 11 10 -M V30 END BOND -M V30 END CTAB -M END -> -324 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.048300 0.120700 0.000000 0 -M V30 2 C 0.610300 1.279300 0.000000 0 -M V30 3 C 0.627600 -1.034500 0.000000 0 -M V30 4 N -1.382800 0.120700 0.000000 0 -M V30 5 C 1.944800 1.279300 0.000000 0 -M V30 6 C 1.962100 -1.034500 0.000000 0 -M V30 7 C -2.058600 1.279300 0.000000 0 -M V30 8 C 2.620700 0.120700 0.000000 0 -M V30 9 N 2.620700 -2.193100 0.000000 0 CHG=1 -M V30 10 C -3.393100 1.279300 0.000000 0 -M V30 11 O 1.962100 -3.348300 0.000000 0 CHG=-1 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 7 10 -M V30 10 1 9 11 -M V30 11 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -325 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 4.923700 -4.151800 0.000000 0 -M V30 2 C 4.081800 -4.151800 0.000000 0 -M V30 3 C 5.168600 -4.936200 0.000000 0 -M V30 4 C 5.419800 -3.493100 0.000000 0 -M V30 5 C 3.824500 -4.917700 0.000000 0 -M V30 6 C 3.585700 -3.493100 0.000000 0 -M V30 7 O 4.495600 -5.406900 0.000000 0 -M V30 8 O 6.240500 -3.598100 0.000000 0 -M V30 9 C 6.736600 -2.920800 0.000000 0 -M V30 10 C 3.906700 -2.734600 0.000000 0 -M V30 11 C 3.410600 -2.075900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 6 -M V30 2 1 3 7 -M V30 3 1 4 8 -M V30 4 1 8 9 -M V30 5 1 5 7 -M V30 6 1 6 10 -M V30 7 1 1 2 -M V30 8 1 1 3 -M V30 9 1 10 11 -M V30 10 1 1 4 -M V30 11 1 2 5 -M V30 END BOND -M V30 END CTAB -M END -> -326 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.665500 -1.358600 0.000000 0 -M V30 2 N -0.651700 0.086200 0.000000 0 -M V30 3 N 0.562100 -2.082800 0.000000 0 -M V30 4 S -1.927600 -2.069000 0.000000 0 -M V30 5 C 0.562100 0.762100 0.000000 0 -M V30 6 C -1.882800 0.869000 0.000000 0 -M V30 7 C 1.793100 -1.375900 0.000000 0 -M V30 8 C -3.158600 -1.327600 0.000000 0 -M V30 9 C 1.793100 0.055200 0.000000 0 -M V30 10 O 0.534500 2.193100 0.000000 0 -M V30 11 N 3.055200 -2.096600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 5 10 -M V30 10 1 7 11 -M V30 11 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -327 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 11 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 Sn 0.427600 -0.275900 0.000000 0 -M V30 2 C -0.531000 0.275900 0.000000 0 -M V30 3 C 1.586200 0.072400 0.000000 0 -M V30 4 C -0.531000 1.355200 0.000000 0 -M V30 5 S -1.437900 -0.237900 0.000000 0 -M V30 6 C -2.358600 1.355200 0.000000 0 -M V30 7 C -2.358600 0.275900 0.000000 0 -M V30 8 C -3.351700 1.979300 0.000000 0 -M V30 9 C -3.351700 -0.327600 0.000000 0 -M V30 10 C -4.344800 1.396600 0.000000 0 -M V30 11 C -4.344800 0.237900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 2 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 2 8 10 -M V30 10 2 9 11 -M V30 11 2 6 7 -M V30 12 1 10 11 -M V30 END BOND -M V30 END CTAB -M END -> -328 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 6.545900 -2.629200 0.000000 0 -M V30 2 C 6.542700 -1.802500 0.000000 0 -M V30 3 C 7.257000 -1.386300 0.000000 0 -M V30 4 C 5.825100 -1.391900 0.000000 0 -M V30 5 C 5.118200 -4.304200 0.000000 0 -M V30 6 C 5.821700 -3.888300 0.000000 0 -M V30 7 C 4.415800 -3.888300 0.000000 0 -M V30 8 C 5.118200 -5.119300 0.000000 0 -M V30 9 C 5.821700 -3.073500 0.000000 0 -M V30 10 C 4.415800 -3.073500 0.000000 0 -M V30 11 F 6.017100 -5.011100 0.000000 0 -M V30 12 C 5.118200 -2.653500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 4 -M V30 3 1 2 3 -M V30 4 1 5 6 -M V30 5 2 5 7 -M V30 6 1 5 8 -M V30 7 2 6 9 -M V30 8 1 7 10 -M V30 9 1 8 11 -M V30 10 1 9 12 -M V30 11 1 9 1 -M V30 12 2 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -329 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.050000 -1.050000 0.000000 0 -M V30 2 C -0.670000 -0.690000 0.000000 0 -M V30 3 C -0.670000 0.050000 0.000000 0 -M V30 4 N 0.610000 -0.690000 0.000000 0 -M V30 5 C -1.310000 -1.050000 0.000000 0 -M V30 6 C -1.310000 0.410000 0.000000 0 -M V30 7 O -0.050000 -1.790000 0.000000 0 -M V30 8 C -1.950000 0.030000 0.000000 0 -M V30 9 C -1.950000 -0.690000 0.000000 0 -M V30 10 C 0.610000 0.030000 0.000000 0 -M V30 11 Br -2.610000 0.390000 0.000000 0 -M V30 12 C -0.050000 0.410000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 2 -M V30 3 1 4 1 -M V30 4 1 5 2 -M V30 5 1 6 3 -M V30 6 2 7 1 -M V30 7 1 8 9 -M V30 8 2 9 5 -M V30 9 1 10 4 -M V30 10 1 11 8 -M V30 11 1 12 10 -M V30 12 1 3 12 -M V30 13 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -330 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 5.018000 -3.258600 0.000000 0 -M V30 2 C 5.018000 -4.088900 0.000000 0 -M V30 3 C 4.289200 -2.849700 0.000000 0 -M V30 4 C 5.747400 -2.849700 0.000000 0 -M V30 5 C 5.747400 -4.502000 0.000000 0 -M V30 6 C 4.289200 -4.502000 0.000000 0 -M V30 7 C 3.563900 -3.258600 0.000000 0 -M V30 8 N 4.289200 -2.019400 0.000000 0 CHG=1 -M V30 9 C 6.476200 -3.258600 0.000000 0 -M V30 10 C 6.476200 -4.088900 0.000000 0 -M V30 11 C 3.563900 -4.088900 0.000000 0 -M V30 12 C 7.185800 -4.490300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 1 5 10 -M V30 10 2 6 11 -M V30 11 1 10 12 -M V30 12 1 7 11 -M V30 13 2 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -331 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.127600 0.737900 0.000000 0 -M V30 2 N -1.003400 1.203400 0.000000 0 -M V30 3 C -1.610300 0.596600 0.000000 0 -M V30 4 C -0.782800 0.486200 0.000000 0 -M V30 5 C -0.527600 1.196600 0.000000 0 -M V30 6 N -1.762100 0.172400 0.000000 0 -M V30 7 C -0.386200 0.737900 0.000000 0 -M V30 8 C -2.227600 0.103400 0.000000 0 -M V30 9 C -2.400000 -0.334500 0.000000 0 -M V30 10 N -2.134500 -0.706900 0.000000 0 -M V30 11 C -2.331000 -1.137900 0.000000 0 -M V30 12 C -2.051700 -1.496600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 8 6 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 1 11 10 -M V30 11 1 11 12 -M V30 12 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -332 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -3.189700 -0.179300 0.000000 0 -M V30 2 N -2.603400 0.162100 0.000000 0 -M V30 3 C -3.189700 -0.855200 0.000000 0 -M V30 4 C -3.772400 0.162100 0.000000 0 -M V30 5 C -2.020700 -0.172400 0.000000 0 -M V30 6 C -3.772400 -1.196600 0.000000 0 -M V30 7 C -4.344800 -0.179300 0.000000 0 -M V30 8 C -1.448300 0.162100 0.000000 0 -M V30 9 C -4.344800 -0.855200 0.000000 0 -M V30 10 C -0.875900 -0.172400 0.000000 0 -M V30 11 S -0.300000 0.172400 0.000000 0 -M V30 12 S 0.272400 -0.151700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 2 6 9 -M V30 9 1 8 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -333 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.003400 -1.151700 0.000000 0 -M V30 2 C 1.241400 -0.437900 0.000000 0 -M V30 3 C -1.255200 -0.437900 0.000000 0 -M V30 4 C -0.003400 -2.593100 0.000000 0 -M V30 5 N 1.241400 0.989700 0.000000 0 -M V30 6 C 2.475900 -1.165500 0.000000 0 -M V30 7 N -1.255200 0.989700 0.000000 0 -M V30 8 C -2.475900 -1.151700 0.000000 0 -M V30 9 C 1.217200 -3.306900 0.000000 0 -M V30 10 C -0.020700 1.710300 0.000000 0 -M V30 11 C 2.469000 -2.600000 0.000000 0 -M V30 12 C -2.475900 -2.593100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 1 5 10 -M V30 10 1 6 11 -M V30 11 2 8 12 -M V30 12 1 7 10 -M V30 13 2 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -334 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 4.062500 -3.112500 0.000000 0 -M V30 2 N 4.766700 -4.350000 0.000000 0 -M V30 3 N 5.479200 -3.112500 0.000000 0 -M V30 4 C 4.775000 -2.704200 0.000000 0 -M V30 5 C 5.479200 -3.941700 0.000000 0 -M V30 6 C 7.616700 -4.354200 0.000000 0 -M V30 7 C 6.191700 -4.354200 0.000000 0 -M V30 8 S 7.612500 -5.179200 0.000000 0 -M V30 9 C 6.904200 -3.937500 0.000000 0 -M V30 10 C 8.391700 -5.437500 0.000000 0 -M V30 11 C 8.404200 -4.100000 0.000000 0 -M V30 12 C 8.887500 -4.766700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 3 5 -M V30 2 1 4 1 -M V30 3 2 5 2 -M V30 4 1 6 9 -M V30 5 1 7 5 -M V30 6 1 8 6 -M V30 7 2 9 7 -M V30 8 1 10 8 -M V30 9 2 11 6 -M V30 10 1 12 11 -M V30 11 2 3 4 -M V30 12 2 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -335 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 6.596800 -8.889900 0.000000 0 -M V30 2 N 6.605100 -8.055000 0.000000 0 -M V30 3 C 5.886500 -7.643700 0.000000 0 -M V30 4 C 5.886500 -6.821200 0.000000 0 -M V30 5 C 6.605100 -5.574900 0.000000 0 -M V30 6 C 6.596800 -6.409900 0.000000 0 -M V30 7 C 5.176100 -8.050800 0.000000 0 -M V30 8 C 5.163700 -8.877500 0.000000 0 -M V30 9 N 5.874000 -9.301200 0.000000 0 -M V30 10 C 7.394400 -7.805700 0.000000 0 -M V30 11 C 7.876300 -8.478700 0.000000 0 -M V30 12 S 7.382000 -9.151700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 9 1 -M V30 2 1 1 12 -M V30 3 1 1 2 -M V30 4 1 2 3 -M V30 5 1 3 4 -M V30 6 2 4 6 -M V30 7 1 5 6 -M V30 8 1 3 7 -M V30 9 2 7 8 -M V30 10 1 8 9 -M V30 11 1 2 10 -M V30 12 1 10 11 -M V30 13 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -336 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.110300 -1.489700 0.000000 0 -M V30 2 C -2.103400 -2.775900 0.000000 0 -M V30 3 C -0.896600 -1.079300 0.000000 0 -M V30 4 C -3.234500 -0.848300 0.000000 0 -M V30 5 O -0.875900 -3.165500 0.000000 0 -M V30 6 C -3.234500 -3.431000 0.000000 0 -M V30 7 C -0.124100 -2.127600 0.000000 0 -M V30 8 C -4.344800 -1.503400 0.000000 0 -M V30 9 C -4.344800 -2.789700 0.000000 0 -M V30 10 C 1.162100 -2.113800 0.000000 0 -M V30 11 N 1.793100 -1.003400 0.000000 0 -M V30 12 C 2.434500 0.106900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 6 9 -M V30 9 1 7 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 5 7 -M V30 13 2 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -337 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 11.421300 8.767000 0.000000 0 -M V30 2 C 8.558600 7.125200 0.000000 0 -M V30 3 C 11.508800 9.592000 0.000000 0 -M V30 4 N 9.275300 7.533500 0.000000 0 -M V30 5 N 12.317200 9.762800 0.000000 0 -M V30 6 C 12.179700 8.429400 0.000000 0 -M V30 7 C 12.733900 9.046100 0.000000 0 -M V30 8 C 10.708700 8.354400 0.000000 0 -M V30 9 C 9.992100 7.121000 0.000000 0 -M V30 10 C 9.279500 8.362700 0.000000 0 -M V30 11 C 9.992100 8.771100 0.000000 0 -M V30 12 C 10.708700 7.533500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 8 -M V30 2 2 3 1 -M V30 3 1 4 2 -M V30 4 1 5 3 -M V30 5 1 6 1 -M V30 6 1 7 6 -M V30 7 1 8 11 -M V30 8 1 9 4 -M V30 9 1 10 4 -M V30 10 1 11 10 -M V30 11 1 12 9 -M V30 12 1 12 8 -M V30 13 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -338 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.127600 0.631000 0.000000 0 -M V30 2 C -0.127600 -0.758600 0.000000 0 -M V30 3 C 1.062100 1.344800 0.000000 0 -M V30 4 C -1.296600 1.306900 0.000000 0 -M V30 5 C 1.096600 -1.472400 0.000000 0 -M V30 6 C -1.317200 -1.472400 0.000000 0 -M V30 7 C 1.079300 2.734500 0.000000 0 -M V30 8 C -1.317200 2.751700 0.000000 0 -M V30 9 O -2.503400 0.596600 0.000000 0 -M V30 10 C 1.096600 -2.862100 0.000000 0 -M V30 11 Cl 2.303400 -0.813800 0.000000 0 -M V30 12 C -1.317200 -2.862100 0.000000 0 -M V30 13 S -0.127600 3.431000 0.000000 0 -M V30 14 C -0.127600 -3.593100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 2 4 9 -M V30 9 2 5 10 -M V30 10 1 5 11 -M V30 11 1 6 12 -M V30 12 1 7 13 -M V30 13 1 10 14 -M V30 14 1 8 13 -M V30 15 2 12 14 -M V30 END BOND -M V30 END CTAB -M END -> -339 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 6.500900 -1.791400 0.000000 0 -M V30 2 N 5.704900 -2.029100 0.000000 0 -M V30 3 C 6.858600 -1.046300 0.000000 0 -M V30 4 C 7.795400 -2.409500 0.000000 0 -M V30 5 C 5.682900 -2.849800 0.000000 0 -M V30 6 C 5.062100 -1.523600 0.000000 0 -M V30 7 C 7.682800 -0.980400 0.000000 0 -M V30 8 C 8.157300 -1.660200 0.000000 0 -M V30 9 C 4.297600 -1.838100 0.000000 0 -M V30 10 C 3.639800 -1.336800 0.000000 0 -M V30 11 C 4.189200 -2.662300 0.000000 0 -M V30 12 C 2.875400 -1.651300 0.000000 0 -M V30 13 C 3.424800 -2.964400 0.000000 0 -M V30 14 C 2.763500 -2.471300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 5 -M V30 4 1 2 6 -M V30 5 2 3 7 -M V30 6 2 4 8 -M V30 7 1 6 9 -M V30 8 2 9 10 -M V30 9 1 9 11 -M V30 10 1 10 12 -M V30 11 2 11 13 -M V30 12 2 12 14 -M V30 13 1 7 8 -M V30 14 1 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -340 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 5.786500 -3.971600 0.000000 0 -M V30 2 C 6.144100 -3.226800 0.000000 0 -M V30 3 C 6.254600 -4.651000 0.000000 0 -M V30 4 C 4.965600 -4.036100 0.000000 0 -M V30 5 C 6.965000 -3.166500 0.000000 0 -M V30 6 C 7.075400 -4.590600 0.000000 0 -M V30 7 O 4.498300 -3.356600 0.000000 0 -M V30 8 O 4.608700 -4.780700 0.000000 0 -M V30 9 C 7.432300 -3.846000 0.000000 0 -M V30 10 C 7.319800 -2.418400 0.000000 0 -M V30 11 C 3.673300 -3.421100 0.000000 0 -M V30 12 N 8.257300 -3.781500 0.000000 0 -M V30 13 N 8.142600 -2.368200 0.000000 0 -M V30 14 C 3.209400 -2.741700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 2 4 8 -M V30 8 2 5 9 -M V30 9 1 5 10 -M V30 10 1 7 11 -M V30 11 1 9 12 -M V30 12 1 10 13 -M V30 13 1 11 14 -M V30 14 1 6 9 -M V30 END BOND -M V30 END CTAB -M END -> -341 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.317200 0.293100 0.000000 0 -M V30 2 C 0.579300 -0.265500 0.000000 0 -M V30 3 O -1.200000 -0.172400 0.000000 0 -M V30 4 C -0.431000 1.262100 0.000000 0 -M V30 5 N 1.500000 0.224100 0.000000 0 -M V30 6 C -1.910300 0.541400 0.000000 0 -M V30 7 C -1.451700 1.441400 0.000000 0 -M V30 8 C 2.358600 -0.262100 0.000000 0 -M V30 9 C 1.686200 1.203400 0.000000 0 -M V30 10 C -2.882800 0.362100 0.000000 0 -M V30 11 C 3.093100 0.400000 0.000000 0 -M V30 12 N 2.682800 1.320700 0.000000 0 -M V30 13 N -3.210300 -0.582800 0.000000 0 -M V30 14 O -3.537900 1.127600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 2 8 11 -M V30 11 2 9 12 -M V30 12 1 10 13 -M V30 13 2 10 14 -M V30 14 2 6 7 -M V30 15 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -342 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.654200 -4.583300 0.000000 0 -M V30 2 C 3.936500 -4.169100 0.000000 0 -M V30 3 C 3.936400 -3.340500 0.000000 0 -M V30 4 C 3.219000 -4.583500 0.000000 0 -M V30 5 N 2.500900 -5.005400 0.000000 0 -M V30 6 N 3.935700 -2.519100 0.000000 0 -M V30 7 C 6.805000 -3.344900 0.000000 0 -M V30 8 C 6.091200 -2.933200 0.000000 0 -M V30 9 C 6.805000 -4.169900 0.000000 0 -M V30 10 O 7.522200 -2.933200 0.000000 0 -M V30 11 C 5.373900 -3.344900 0.000000 0 -M V30 12 C 6.091200 -4.585900 0.000000 0 -M V30 13 Br 7.522200 -4.585900 0.000000 0 -M V30 14 C 5.373900 -4.169900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 4 -M V30 2 3 4 5 -M V30 3 1 2 3 -M V30 4 3 3 6 -M V30 5 1 1 2 -M V30 6 2 7 8 -M V30 7 1 7 9 -M V30 8 1 7 10 -M V30 9 1 8 11 -M V30 10 2 9 12 -M V30 11 1 9 13 -M V30 12 2 11 14 -M V30 13 1 14 1 -M V30 14 1 12 14 -M V30 END BOND -M V30 END CTAB -M END -> -343 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.279300 0.375900 0.000000 0 -M V30 2 C -2.934500 0.758600 0.000000 0 -M V30 3 C -2.279300 -0.386200 0.000000 0 -M V30 4 O -1.620700 0.741400 0.000000 0 -M V30 5 C -3.589700 0.375900 0.000000 0 -M V30 6 C -2.934500 -0.772400 0.000000 0 -M V30 7 C -0.982800 0.393100 0.000000 0 -M V30 8 C -3.589700 -0.386200 0.000000 0 -M V30 9 C -0.344800 0.769000 0.000000 0 -M V30 10 O 0.400000 0.348300 0.000000 0 -M V30 11 C 1.055200 0.734500 0.000000 0 -M V30 12 C 1.710300 0.313800 0.000000 0 -M V30 13 C 2.386200 0.665500 0.000000 0 -M V30 14 C 1.703400 -0.437900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 1 12 14 -M V30 14 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -344 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.212500 -0.866700 0.000000 0 -M V30 2 C 4.354200 -1.679200 0.000000 0 -M V30 3 N 3.041700 -1.491700 0.000000 0 -M V30 4 N 3.400000 -0.750000 0.000000 0 -M V30 5 C 5.125000 -1.962500 0.000000 0 -M V30 6 C 5.266700 -2.779200 0.000000 0 -M V30 7 N 6.037500 -3.062500 0.000000 0 -M V30 8 C 6.179200 -3.875000 0.000000 0 -M V30 9 C 6.950000 -4.154200 0.000000 0 -M V30 10 C 7.091700 -4.966700 0.000000 0 -M V30 11 C 5.679200 -5.212500 0.000000 0 -M V30 12 C 5.541700 -4.404200 0.000000 0 -M V30 13 C 6.462500 -5.491700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 2 3 4 -M V30 3 1 4 1 -M V30 4 1 5 2 -M V30 5 1 6 5 -M V30 6 1 7 6 -M V30 7 1 8 7 -M V30 8 2 9 8 -M V30 9 1 10 9 -M V30 10 2 11 12 -M V30 11 1 12 8 -M V30 12 1 13 11 -M V30 13 2 10 13 -M V30 END BOND -M V30 END CTAB -M END -> -345 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.717200 1.031000 0.000000 0 -M V30 2 N -0.079300 0.517200 0.000000 0 -M V30 3 C 0.717200 1.996600 0.000000 0 -M V30 4 C 1.575900 0.572400 0.000000 0 -M V30 5 C -0.927600 0.979300 0.000000 0 -M V30 6 C 1.524100 2.544800 0.000000 0 -M V30 7 C 2.434500 1.069000 0.000000 0 -M V30 8 C -1.786200 0.500000 0.000000 0 -M V30 9 C 2.406900 2.058600 0.000000 0 -M V30 10 C -1.786200 -0.482800 0.000000 0 -M V30 11 N -2.575900 1.041400 0.000000 0 -M V30 12 N 3.248300 2.475900 0.000000 0 CHG=1 -M V30 13 C -0.955200 -0.969000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 2 6 9 -M V30 9 1 8 10 -M V30 10 1 8 11 -M V30 11 1 9 12 -M V30 12 1 10 13 -M V30 13 1 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -346 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.613800 -0.817200 0.000000 0 -M V30 2 C 1.675900 0.127600 0.000000 0 -M V30 3 C -0.734500 -0.389700 0.000000 0 -M V30 4 C 0.920700 -2.227600 0.000000 0 -M V30 5 C 3.044800 -0.296600 0.000000 0 -M V30 6 N 1.369000 1.527600 0.000000 0 CHG=1 -M V30 7 C -1.796600 -1.351700 0.000000 0 -M V30 8 C -1.041400 0.996600 0.000000 0 -M V30 9 C 2.289700 -2.665500 0.000000 0 -M V30 10 C 3.351700 -1.696600 0.000000 0 -M V30 11 O 2.431000 2.496600 0.000000 0 -M V30 12 O 0.006900 1.965500 0.000000 0 CHG=-1 -M V30 13 O -3.169000 -0.910300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 3 8 -M V30 8 2 4 9 -M V30 9 2 5 10 -M V30 10 2 6 11 -M V30 11 1 6 12 -M V30 12 2 7 13 -M V30 13 1 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -347 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -1.190000 -0.640000 0.000000 0 -M V30 2 N -1.190000 1.370000 0.000000 0 -M V30 3 C -1.190000 -1.640000 0.000000 0 -M V30 4 C -2.040000 -0.140000 0.000000 0 -M V30 5 C -0.320000 -0.140000 0.000000 0 -M V30 6 C -0.320000 0.860000 0.000000 0 -M V30 7 C -2.040000 0.860000 0.000000 0 -M V30 8 C -2.040000 -2.130000 0.000000 0 -M V30 9 O -0.320000 -2.130000 0.000000 0 -M V30 10 C -1.190000 2.380000 0.000000 0 -M V30 11 C -2.880000 -1.620000 0.000000 0 -M V30 12 C -0.320000 2.870000 0.000000 0 -M V30 13 C 0.530000 2.400000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 6 -M V30 2 1 3 1 -M V30 3 1 4 1 -M V30 4 1 5 1 -M V30 5 1 6 5 -M V30 6 1 7 4 -M V30 7 1 8 3 -M V30 8 2 9 3 -M V30 9 1 10 2 -M V30 10 1 11 8 -M V30 11 1 12 10 -M V30 12 1 13 12 -M V30 13 1 7 2 -M V30 END BOND -M V30 END CTAB -M END -> -348 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.644800 -0.727600 0.000000 0 -M V30 2 C -0.544800 -1.151700 0.000000 0 -M V30 3 N 1.027600 0.513800 0.000000 0 -M V30 4 C 1.700000 -1.455200 0.000000 0 -M V30 5 C -1.510300 -0.331000 0.000000 0 -M V30 6 C -0.782800 -2.420700 0.000000 0 -M V30 7 C 2.282800 0.513800 0.000000 0 -M V30 8 N 2.734500 -0.662100 0.000000 0 -M V30 9 C -2.741400 -0.755200 0.000000 0 -M V30 10 C -2.013800 -2.844800 0.000000 0 -M V30 11 C 2.996600 1.558600 0.000000 0 -M V30 12 C -2.979300 -1.986200 0.000000 0 -M V30 13 O 4.251700 1.465500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 2 9 12 -M V30 12 1 11 13 -M V30 13 1 7 8 -M V30 14 1 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -349 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.255200 -0.827600 0.000000 0 -M V30 2 N 0.255200 0.255200 0.000000 0 -M V30 3 O -0.627600 -1.420700 0.000000 0 -M V30 4 C 1.089700 -1.489700 0.000000 0 -M V30 5 C 1.169000 0.789700 0.000000 0 -M V30 6 C -0.706900 0.789700 0.000000 0 -M V30 7 C -0.337900 -2.424100 0.000000 0 -M V30 8 C 0.717200 -2.482800 0.000000 0 -M V30 9 N 1.169000 1.872400 0.000000 0 -M V30 10 O 2.103400 0.234500 0.000000 0 -M V30 11 C -0.706900 1.851700 0.000000 0 -M V30 12 C -1.000000 -3.286200 0.000000 0 -M V30 13 C 0.255200 2.403400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 5 10 -M V30 10 2 6 11 -M V30 11 1 7 12 -M V30 12 1 9 13 -M V30 13 1 7 8 -M V30 14 1 11 13 -M V30 END BOND -M V30 END CTAB -M END -> -350 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.524100 0.844800 0.000000 0 -M V30 2 C -0.524100 -0.555200 0.000000 0 -M V30 3 C -1.786200 1.534500 0.000000 0 -M V30 4 C 0.693100 1.517200 0.000000 0 -M V30 5 C -1.786200 -1.234500 0.000000 0 -M V30 6 C -2.975900 0.844800 0.000000 0 -M V30 7 C 1.882800 0.772400 0.000000 0 -M V30 8 C -2.975900 -0.555200 0.000000 0 -M V30 9 I -1.786200 -2.617200 0.000000 0 -M V30 10 I -4.165500 1.555200 0.000000 0 -M V30 11 C 3.065500 1.462100 0.000000 0 -M V30 12 O 1.882800 -0.679300 0.000000 0 -M V30 13 O 3.065500 2.706900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 2 5 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 7 11 -M V30 11 2 7 12 -M V30 12 2 11 13 -M V30 13 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -351 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.182800 1.079300 0.000000 0 -M V30 2 C 0.744800 1.889700 0.000000 0 -M V30 3 C -0.772400 1.079300 0.000000 0 -M V30 4 C 0.520700 0.158600 0.000000 0 -M V30 5 C 1.734500 1.789700 0.000000 0 -M V30 6 C 0.320700 2.789700 0.000000 0 -M V30 7 C -1.082800 0.124100 0.000000 0 -M V30 8 S -0.282800 -0.437900 0.000000 0 -M V30 9 C 2.286200 2.613800 0.000000 0 -M V30 10 C 0.882800 3.593100 0.000000 0 -M V30 11 C -2.003400 -0.203400 0.000000 0 -M V30 12 C 1.872400 3.506900 0.000000 0 -M V30 13 C -2.175900 -1.169000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 2 5 9 -M V30 9 1 6 10 -M V30 10 2 7 11 -M V30 11 1 9 12 -M V30 12 1 11 13 -M V30 13 1 7 8 -M V30 14 2 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -352 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.150000 0.080000 0.000000 0 -M V30 2 N -0.840000 0.470000 0.000000 0 -M V30 3 C -0.150000 -0.700000 0.000000 0 -M V30 4 C 0.530000 0.470000 0.000000 0 -M V30 5 O -0.840000 -1.090000 0.000000 0 -M V30 6 C 0.530000 -1.090000 0.000000 0 -M V30 7 C 1.190000 0.080000 0.000000 0 -M V30 8 C -1.500000 0.080000 0.000000 0 -M V30 9 C -1.500000 -0.700000 0.000000 0 -M V30 10 C -1.010000 1.240000 0.000000 0 -M V30 11 C -1.760000 1.300000 0.000000 0 -M V30 12 C -2.100000 0.610000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 1 -M V30 3 1 4 1 -M V30 4 1 5 3 -M V30 5 1 6 3 -M V30 6 2 7 4 -M V30 7 1 8 2 -M V30 8 1 9 5 -M V30 9 1 10 2 -M V30 10 1 11 10 -M V30 11 1 12 8 -M V30 12 1 8 9 -M V30 13 1 12 11 -M V30 END BOND -M V30 END CTAB -M END -> -353 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 S 7.526000 -6.586500 0.000000 0 -M V30 2 N 6.710000 -5.177000 0.000000 0 -M V30 3 C 8.935500 -5.770500 0.000000 0 -M V30 4 C 10.345000 -6.586500 0.000000 0 -M V30 5 C 11.755000 -5.770500 0.000000 0 -M V30 6 C 11.755000 -4.138000 0.000000 0 -M V30 7 C 8.935500 -4.138000 0.000000 0 -M V30 8 C 10.345000 -3.322000 0.000000 0 -M V30 9 C 5.078000 -5.168500 0.000000 0 -M V30 10 C 7.526000 -3.759000 0.000000 0 -M V30 11 C 6.710000 -2.349500 0.000000 0 -M V30 12 C 4.262000 -3.759000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 3 -M V30 4 2 5 4 -M V30 5 2 6 8 -M V30 6 2 7 3 -M V30 7 1 8 7 -M V30 8 1 9 2 -M V30 9 1 10 2 -M V30 10 1 11 10 -M V30 11 1 12 9 -M V30 12 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -354 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.272400 0.779300 0.000000 0 -M V30 2 N 1.169000 -0.010300 0.000000 0 -M V30 3 N 2.058600 0.948300 0.000000 0 -M V30 4 N 0.462100 -0.400000 0.000000 0 -M V30 5 C 1.913800 -0.331000 0.000000 0 -M V30 6 N 2.444800 0.227600 0.000000 0 -M V30 7 C 0.451700 -1.210300 0.000000 0 -M V30 8 C -0.272400 -1.613800 0.000000 0 -M V30 9 C -0.955200 -1.172400 0.000000 0 -M V30 10 C -0.989700 -2.789700 0.000000 0 -M V30 11 C -1.662100 -1.565500 0.000000 0 -M V30 12 C -1.682800 -2.369000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 7 8 -M V30 8 2 8 9 -M V30 9 1 9 11 -M V30 10 1 10 12 -M V30 11 2 5 6 -M V30 12 2 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -355 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 5.415600 -4.749100 0.000000 0 -M V30 2 O 6.148400 -5.134200 0.000000 0 -M V30 3 C 5.391300 -3.907100 0.000000 0 -M V30 4 N 4.707100 -5.175900 0.000000 0 -M V30 5 C 6.860700 -4.720500 0.000000 0 -M V30 6 C 4.659100 -3.515300 0.000000 0 -M V30 7 C 6.827300 -3.898700 0.000000 0 -M V30 8 C 7.592600 -5.102100 0.000000 0 -M V30 9 C 3.956300 -3.948700 0.000000 0 -M V30 10 C 7.512600 -3.456000 0.000000 0 -M V30 11 C 8.291000 -4.656300 0.000000 0 -M V30 12 C 8.258200 -3.857300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 5 7 -M V30 7 2 5 8 -M V30 8 2 6 9 -M V30 9 2 7 10 -M V30 10 1 8 11 -M V30 11 1 10 12 -M V30 12 2 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -356 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.624100 0.648300 0.000000 0 -M V30 2 C -1.624100 0.275900 0.000000 0 -M V30 3 C -0.134500 -0.200000 0.000000 0 -M V30 4 C -1.624100 -0.710300 0.000000 0 -M V30 5 C -2.475900 0.769000 0.000000 0 -M V30 6 N -0.700000 -1.020700 0.000000 0 -M V30 7 S 0.817200 -0.455200 0.000000 0 -M V30 8 N -2.475900 -1.196600 0.000000 0 -M V30 9 N -3.355200 0.275900 0.000000 0 -M V30 10 C 1.072400 -1.410300 0.000000 0 -M V30 11 C -3.355200 -0.710300 0.000000 0 -M V30 12 C 2.020700 -1.665500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 2 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 7 10 -M V30 10 1 8 11 -M V30 11 1 10 12 -M V30 12 1 4 6 -M V30 13 1 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -357 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 11 0 0 0 -M V30 BEGIN ATOM -M V30 1 P 0.000000 0.003400 0.000000 0 -M V30 2 O 0.620700 -0.362100 0.000000 0 -M V30 3 O -0.620700 0.375900 0.000000 0 -M V30 4 C 0.620700 -1.075900 0.000000 0 -M V30 5 C -0.620700 1.075900 0.000000 0 -M V30 6 C 1.227600 -1.448300 0.000000 0 -M V30 7 C -1.227600 1.434500 0.000000 0 -M V30 8 C 1.217200 -2.165500 0.000000 0 -M V30 9 C 1.851700 -1.075900 0.000000 0 -M V30 10 C -1.217200 2.151700 0.000000 0 -M V30 11 C 1.865500 -0.362100 0.000000 0 -M V30 12 C -1.837900 2.524100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 6 9 -M V30 9 1 7 10 -M V30 10 1 9 11 -M V30 11 1 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -358 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.710300 1.806900 0.000000 0 -M V30 2 C -0.710300 0.362100 0.000000 0 -M V30 3 O 0.537900 2.517200 0.000000 0 -M V30 4 C -1.969000 2.548300 0.000000 0 -M V30 5 C -1.969000 -0.306900 0.000000 0 -M V30 6 C 1.796600 1.765500 0.000000 0 -M V30 7 C -3.217200 1.806900 0.000000 0 -M V30 8 C -3.217200 0.396600 0.000000 0 -M V30 9 N -1.969000 -1.737900 0.000000 0 CHG=1 -M V30 10 Cl 3.010300 2.517200 0.000000 0 -M V30 11 O -0.710300 -2.420700 0.000000 0 -M V30 12 O -3.217200 -2.369000 0.000000 0 CHG=-1 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 2 5 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 2 9 11 -M V30 11 1 9 12 -M V30 12 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -359 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.437900 -0.365500 0.000000 0 -M V30 2 C 0.624100 -0.982800 0.000000 0 -M V30 3 C -1.348300 -1.189700 0.000000 0 -M V30 4 C -1.048300 0.693100 0.000000 0 -M V30 5 S 0.369000 -2.179300 0.000000 0 -M V30 6 C 1.848300 -0.982800 0.000000 0 -M V30 7 C -0.848300 -2.306900 0.000000 0 -M V30 8 C -1.048300 1.920700 0.000000 0 -M V30 9 C 2.910300 -0.365500 0.000000 0 -M V30 10 C -0.437900 2.979300 0.000000 0 -M V30 11 C 3.524100 0.693100 0.000000 0 -M V30 12 C 0.624100 3.593100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 1 9 11 -M V30 11 1 10 12 -M V30 12 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -360 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.265500 0.348300 0.000000 0 -M V30 2 N 0.272400 1.417200 0.000000 0 -M V30 3 C 2.651700 0.648300 0.000000 0 -M V30 4 C 0.831000 -1.048300 0.000000 0 -M V30 5 C -1.075900 1.100000 0.000000 0 -M V30 6 C 3.620700 -0.420700 0.000000 0 -M V30 7 C 1.786200 -2.079300 0.000000 0 -M V30 8 N -1.541400 -0.279300 0.000000 0 -M V30 9 S -2.279300 1.910300 0.000000 0 -M V30 10 C 3.189700 -1.786200 0.000000 0 -M V30 11 N -2.975900 -0.279300 0.000000 0 -M V30 12 N -3.437900 1.031000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 1 8 11 -M V30 11 1 9 12 -M V30 12 1 7 10 -M V30 13 2 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -361 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.486200 1.931000 0.000000 0 -M V30 2 N -1.103400 2.400000 0.000000 0 -M V30 3 C 0.165500 2.424100 0.000000 0 -M V30 4 C 0.203400 1.531000 0.000000 0 -M V30 5 C -0.865500 3.213800 0.000000 0 -M V30 6 N -0.048300 3.196600 0.000000 0 -M V30 7 C 0.203400 0.744800 0.000000 0 -M V30 8 N -0.510300 0.348300 0.000000 0 -M V30 9 C -0.510300 -0.465500 0.000000 0 -M V30 10 C 0.189700 -0.862100 0.000000 0 -M V30 11 C 0.886200 -0.569000 0.000000 0 -M V30 12 C 1.569000 -0.958600 0.000000 0 -M V30 13 C 2.258600 -0.579300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -362 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.269000 -0.634500 0.000000 0 -M V30 2 C 0.696600 -1.782800 0.000000 0 -M V30 3 C 0.931000 0.379300 0.000000 0 -M V30 4 C -0.955200 -0.700000 0.000000 0 -M V30 5 S -0.251700 -2.541400 0.000000 0 -M V30 6 C 1.875900 -2.100000 0.000000 0 -M V30 7 C 2.137900 0.306900 0.000000 0 -M V30 8 C 0.375900 1.462100 0.000000 0 -M V30 9 C -1.282800 -1.875900 0.000000 0 -M V30 10 C 2.817200 1.324100 0.000000 0 -M V30 11 C 1.041400 2.486200 0.000000 0 -M V30 12 C 2.265500 2.413800 0.000000 0 -M V30 13 Cl 2.934500 3.451700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 3 8 -M V30 8 2 4 9 -M V30 9 1 7 10 -M V30 10 2 8 11 -M V30 11 2 10 12 -M V30 12 1 12 13 -M V30 13 1 5 9 -M V30 14 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -363 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.610000 -0.930000 0.000000 0 -M V30 2 C -0.610000 -0.180000 0.000000 0 -M V30 3 C -2.080000 -0.180000 0.000000 0 -M V30 4 S -1.340000 -1.410000 0.000000 0 -M V30 5 C -2.080000 -0.930000 0.000000 0 -M V30 6 C 0.280000 -1.250000 0.000000 0 -M V30 7 C -2.860000 0.290000 0.000000 0 -M V30 8 N 0.220000 0.240000 0.000000 0 -M V30 9 C -2.860000 1.230000 0.000000 0 -M V30 10 C -3.670000 -0.160000 0.000000 0 -M V30 11 C -4.520000 1.260000 0.000000 0 -M V30 12 C -3.650000 1.720000 0.000000 0 -M V30 13 C -4.530000 0.320000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 3 2 -M V30 3 1 4 1 -M V30 4 1 5 4 -M V30 5 1 6 1 -M V30 6 1 7 3 -M V30 7 1 8 2 -M V30 8 1 9 7 -M V30 9 2 10 7 -M V30 10 2 11 13 -M V30 11 2 12 9 -M V30 12 1 13 10 -M V30 13 2 5 3 -M V30 14 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -364 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.086200 -0.827600 0.000000 0 -M V30 2 C 0.086200 -1.937900 0.000000 0 -M V30 3 C -0.869000 -0.275900 0.000000 0 -M V30 4 N 1.041400 -0.275900 0.000000 0 -M V30 5 C -0.869000 -2.489700 0.000000 0 -M V30 6 O 1.041400 -2.489700 0.000000 0 -M V30 7 C -1.820700 -0.837900 0.000000 0 -M V30 8 C 1.996600 0.279300 0.000000 0 -M V30 9 C -1.820700 -1.937900 0.000000 0 -M V30 10 C 1.986200 1.379300 0.000000 0 -M V30 11 C 2.941400 1.937900 0.000000 0 -M V30 12 C 2.941400 3.041400 0.000000 0 -M V30 13 C 3.879300 3.593100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 8 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -365 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 8.337500 -1.912500 0.000000 0 -M V30 2 C 9.134700 -2.126400 0.000000 0 -M V30 3 C 6.884800 -3.598000 0.000000 0 -M V30 4 C 6.152200 -3.182900 0.000000 0 -M V30 5 C 7.599600 -3.169800 0.000000 0 -M V30 6 O 6.884800 -4.406900 0.000000 0 -M V30 7 C 6.165200 -2.329300 0.000000 0 -M V30 8 O 5.445700 -3.589100 0.000000 0 -M V30 9 C 7.608500 -2.329300 0.000000 0 -M V30 10 C 7.599600 -4.809600 0.000000 0 -M V30 11 C 6.884800 -1.904600 0.000000 0 -M V30 12 C 4.753600 -3.169800 0.000000 0 -M V30 13 C 4.043000 -3.589100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 3 4 -M V30 3 2 3 5 -M V30 4 1 3 6 -M V30 5 2 4 7 -M V30 6 1 4 8 -M V30 7 1 5 9 -M V30 8 1 6 10 -M V30 9 1 7 11 -M V30 10 1 8 12 -M V30 11 1 9 1 -M V30 12 1 12 13 -M V30 13 2 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -366 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.920700 1.193100 0.000000 0 -M V30 2 C -1.765500 1.865500 0.000000 0 -M V30 3 O -2.920700 -0.131000 0.000000 0 -M V30 4 O -4.058600 1.851700 0.000000 0 -M V30 5 O -1.765500 3.179300 0.000000 0 CHG=-1 -M V30 6 Ti -1.782800 -0.789700 0.000000 0 -M V30 7 O -0.627600 -0.120700 0.000000 0 -M V30 8 O -1.782800 -2.113800 0.000000 0 -M V30 9 C 0.517200 -0.775900 0.000000 0 -M V30 10 C 1.669000 -0.103400 0.000000 0 -M V30 11 O 0.517200 -2.093100 0.000000 0 -M V30 12 O 1.669000 1.203400 0.000000 0 -M V30 13 O 2.810300 -0.765500 0.000000 0 CHG=-1 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 6 7 -M V30 7 2 6 8 -M V30 8 1 7 9 -M V30 9 1 9 10 -M V30 10 2 9 11 -M V30 11 2 10 12 -M V30 12 1 10 13 -M V30 END BOND -M V30 END CTAB -M END -> -367 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.069000 1.806900 0.000000 0 -M V30 2 C -2.096600 1.213800 0.000000 0 -M V30 3 C -1.069000 2.996600 0.000000 0 -M V30 4 O -2.096600 0.031000 0.000000 0 -M V30 5 C -3.134500 1.806900 0.000000 0 -M V30 6 C -2.096600 3.593100 0.000000 0 -M V30 7 C -1.069000 -0.562100 0.000000 0 -M V30 8 C -3.134500 2.996600 0.000000 0 -M V30 9 C -1.069000 -1.751700 0.000000 0 -M V30 10 N -0.041400 0.031000 0.000000 0 -M V30 11 C -0.041400 -2.348300 0.000000 0 -M V30 12 C 0.986200 -0.562100 0.000000 0 -M V30 13 C 0.986200 -1.751700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 2 7 10 -M V30 10 2 9 11 -M V30 11 1 10 12 -M V30 12 1 11 13 -M V30 13 2 6 8 -M V30 14 2 12 13 -M V30 END BOND -M V30 END CTAB -M END -> -368 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.847000 -1.592200 0.000000 0 -M V30 2 C 2.623200 -1.893800 0.000000 0 -M V30 3 O 3.151400 -1.250000 0.000000 0 -M V30 4 C 2.699700 -0.547300 0.000000 0 -M V30 5 O 1.896100 -0.762100 0.000000 0 -M V30 6 C 2.748000 0.893300 0.000000 0 -M V30 7 C 1.917500 0.893300 0.000000 0 -M V30 8 C 3.154300 0.171600 0.000000 0 -M V30 9 C 1.436300 1.571400 0.000000 0 -M V30 10 O 1.433100 0.236600 0.000000 0 -M V30 11 C 3.984800 0.171600 0.000000 0 -M V30 12 C 0.650000 1.316900 0.000000 0 -M V30 13 C 0.646800 0.490600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 5 1 -M V30 2 1 1 2 -M V30 3 1 2 3 -M V30 4 1 3 4 -M V30 5 1 4 5 -M V30 6 1 6 7 -M V30 7 1 6 8 -M V30 8 2 7 9 -M V30 9 1 7 10 -M V30 10 2 8 11 -M V30 11 1 8 4 -M V30 12 1 9 12 -M V30 13 1 10 13 -M V30 14 2 12 13 -M V30 END BOND -M V30 END CTAB -M END -> -369 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.493100 -0.389700 0.000000 0 -M V30 2 C -0.493100 0.682800 0.000000 0 -M V30 3 C 0.510300 -0.710300 0.000000 0 -M V30 4 C -1.444800 -0.948300 0.000000 0 -M V30 5 C 0.510300 1.003400 0.000000 0 -M V30 6 C -1.444800 1.203400 0.000000 0 -M V30 7 N 1.127600 0.155200 0.000000 0 -M V30 8 C -2.355200 -0.389700 0.000000 0 -M V30 9 C -2.355200 0.665500 0.000000 0 -M V30 10 C 2.175900 0.155200 0.000000 0 -M V30 11 N 2.703400 -0.772400 0.000000 0 -M V30 12 C 2.706900 1.048300 0.000000 0 -M V30 13 C 3.800000 -0.803400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 2 6 9 -M V30 9 1 7 10 -M V30 10 1 10 11 -M V30 11 2 10 12 -M V30 12 2 11 13 -M V30 13 1 5 7 -M V30 14 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -370 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.320700 0.637900 0.000000 0 -M V30 2 C -0.389700 0.103400 0.000000 0 -M V30 3 N -1.324100 1.706900 0.000000 0 -M V30 4 C 0.534500 0.637900 0.000000 0 -M V30 5 C -0.393100 2.248300 0.000000 0 -M V30 6 N 1.472400 0.110300 0.000000 0 -M V30 7 N 0.534500 1.710300 0.000000 0 -M V30 8 C 1.472400 -0.969000 0.000000 0 -M V30 9 C 2.406900 -1.496600 0.000000 0 -M V30 10 C 2.406900 -2.569000 0.000000 0 -M V30 11 C 3.337900 -3.106900 0.000000 0 -M V30 12 C 4.269000 -1.496600 0.000000 0 -M V30 13 N 4.269000 -2.579300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 3 5 -M V30 5 1 4 6 -M V30 6 2 4 7 -M V30 7 1 6 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 2 10 11 -M V30 11 1 11 13 -M V30 12 1 5 7 -M V30 13 2 12 13 -M V30 END BOND -M V30 END CTAB -M END -> -371 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.010300 0.706900 0.000000 0 -M V30 2 C -1.248300 1.420700 0.000000 0 -M V30 3 C 1.231000 1.420700 0.000000 0 -M V30 4 S -0.010300 -0.724100 0.000000 0 -M V30 5 C -1.248300 2.858600 0.000000 0 -M V30 6 C -2.482800 0.706900 0.000000 0 -M V30 7 C 1.231000 2.858600 0.000000 0 -M V30 8 N 1.231000 -1.444800 0.000000 0 -M V30 9 C -0.010300 3.569000 0.000000 0 -M V30 10 C -2.482800 3.569000 0.000000 0 -M V30 11 C -3.731000 1.420700 0.000000 0 -M V30 12 C 1.231000 -2.869000 0.000000 0 -M V30 13 C -3.731000 2.841400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 5 10 -M V30 10 1 6 11 -M V30 11 1 8 12 -M V30 12 1 10 13 -M V30 13 2 7 9 -M V30 14 2 11 13 -M V30 END BOND -M V30 END CTAB -M END -> -372 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.093100 -0.572400 0.000000 0 -M V30 2 C -1.103400 0.820700 0.000000 0 -M V30 3 C 0.134500 -1.262100 0.000000 0 -M V30 4 C -2.293100 -1.262100 0.000000 0 -M V30 5 C -2.451700 -0.348300 0.000000 0 -M V30 6 C -2.324100 1.520700 0.000000 0 -M V30 7 C 0.093100 1.520700 0.000000 0 -M V30 8 C 0.110300 -2.651700 0.000000 0 -M V30 9 C -2.293100 -2.651700 0.000000 0 -M V30 10 C -2.334500 2.903400 0.000000 0 -M V30 11 C 0.093100 2.903400 0.000000 0 -M V30 12 N -1.093100 -3.337900 0.000000 0 -M V30 13 C -1.103400 3.593100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 2 2 6 -M V30 6 1 2 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 1 6 10 -M V30 10 2 7 11 -M V30 11 1 8 12 -M V30 12 2 10 13 -M V30 13 1 9 12 -M V30 14 1 11 13 -M V30 END BOND -M V30 END CTAB -M END -> -373 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.186200 0.282800 0.000000 0 -M V30 2 C -0.396600 0.741400 0.000000 0 -M V30 3 C -1.193100 -0.627600 0.000000 0 -M V30 4 N 0.393100 0.282800 0.000000 0 -M V30 5 N -0.203400 1.631000 0.000000 0 -M V30 6 N -0.406900 -1.082800 0.000000 0 -M V30 7 C 0.393100 -0.627600 0.000000 0 -M V30 8 C 1.072400 0.896600 0.000000 0 -M V30 9 C 0.700000 1.724100 0.000000 0 -M V30 10 S 1.182800 -1.093100 0.000000 0 -M V30 11 C 1.969000 -0.627600 0.000000 0 -M V30 12 C 2.762100 -1.079300 0.000000 0 -M V30 13 C 3.537900 -0.613800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 2 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 7 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 2 6 7 -M V30 14 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -374 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 6.479200 -7.750000 0.000000 0 -M V30 2 C 7.191700 -8.162500 0.000000 0 -M V30 3 S 7.016700 -8.966700 0.000000 0 -M V30 4 N 5.862500 -8.304200 0.000000 0 -M V30 5 C 6.191700 -9.050000 0.000000 0 -M V30 6 C 6.479200 -6.916700 0.000000 0 -M V30 7 C 7.191700 -6.504200 0.000000 0 -M V30 8 C 7.191700 -5.679200 0.000000 0 -M V30 9 C 7.904200 -5.266700 0.000000 0 -M V30 10 C 6.479200 -5.266700 0.000000 0 -M V30 11 C 7.191700 -4.029200 0.000000 0 -M V30 12 C 6.479200 -4.441700 0.000000 0 -M V30 13 C 7.904200 -4.441700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 2 -M V30 3 1 4 1 -M V30 4 2 5 4 -M V30 5 1 6 1 -M V30 6 1 7 6 -M V30 7 1 8 7 -M V30 8 1 9 8 -M V30 9 2 10 8 -M V30 10 2 11 12 -M V30 11 1 12 10 -M V30 12 2 13 9 -M V30 13 1 5 3 -M V30 14 1 13 11 -M V30 END BOND -M V30 END CTAB -M END -> -375 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.237200 2.362300 0.000000 0 -M V30 2 C 3.477700 2.672500 0.000000 0 -M V30 3 O 2.946400 2.047200 0.000000 0 -M V30 4 C 3.379500 1.347400 0.000000 0 -M V30 5 O 4.174800 1.545400 0.000000 0 -M V30 6 C 2.309200 -0.495300 0.000000 0 -M V30 7 C 1.599700 -0.913800 0.000000 0 -M V30 8 N 3.105900 -0.751800 0.000000 0 -M V30 9 C 3.105900 0.577300 0.000000 0 -M V30 10 C 1.599700 0.754300 0.000000 0 -M V30 11 C 0.867600 -0.495300 0.000000 0 -M V30 12 C 3.573800 -0.087600 0.000000 0 -M V30 13 C 0.867600 0.331600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 5 1 -M V30 6 1 6 7 -M V30 7 1 6 8 -M V30 8 2 7 11 -M V30 9 1 8 12 -M V30 10 1 9 4 -M V30 11 2 10 13 -M V30 12 2 9 12 -M V30 13 1 11 13 -M V30 END BOND -M V30 END CTAB -M END -> -376 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.562100 0.617200 0.000000 0 -M V30 2 C -0.562100 -0.779300 0.000000 0 -M V30 3 C 0.641400 1.324100 0.000000 0 -M V30 4 C -1.786200 1.324100 0.000000 0 -M V30 5 C -1.786200 -1.472400 0.000000 0 -M V30 6 C 0.631000 -1.472400 0.000000 0 -M V30 7 C 1.841400 0.606900 0.000000 0 -M V30 8 C -2.965500 0.617200 0.000000 0 -M V30 9 C -2.965500 -0.779300 0.000000 0 -M V30 10 C 1.841400 -0.779300 0.000000 0 -M V30 11 C 3.041400 1.300000 0.000000 0 -M V30 12 O -4.165500 -1.465500 0.000000 0 -M V30 13 O 4.244800 0.606900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 1 9 12 -M V30 12 1 11 13 -M V30 13 1 7 10 -M V30 14 2 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -377 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.258600 -1.231000 0.000000 0 -M V30 2 N -0.475900 0.010300 0.000000 0 -M V30 3 S -0.686200 -2.331000 0.000000 0 -M V30 4 N 1.675900 -1.344800 0.000000 0 -M V30 5 C -1.865500 -0.306900 0.000000 0 -M V30 6 C -1.975900 -1.748300 0.000000 0 -M V30 7 C 2.489700 -0.155200 0.000000 0 -M V30 8 C -2.931000 0.593100 0.000000 0 -M V30 9 C 1.869000 1.110300 0.000000 0 -M V30 10 O 3.927600 -0.279300 0.000000 0 -M V30 11 C -2.010300 1.696600 0.000000 0 -M V30 12 Cl 0.572400 0.520700 0.000000 0 -M V30 13 Cl 3.196600 1.731000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 2 7 10 -M V30 10 1 8 11 -M V30 11 1 9 12 -M V30 12 1 9 13 -M V30 13 2 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -378 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.972400 0.658600 0.000000 0 -M V30 2 C -0.972400 1.879300 0.000000 0 -M V30 3 N -2.027600 0.048300 0.000000 0 -M V30 4 S 0.082800 0.048300 0.000000 0 -M V30 5 C 0.082800 2.486200 0.000000 0 -M V30 6 C -2.027600 2.486200 0.000000 0 -M V30 7 C -2.027600 -1.165500 0.000000 0 -M V30 8 C 1.124100 0.658600 0.000000 0 -M V30 9 C -0.972400 -1.775900 0.000000 0 -M V30 10 C -3.082800 -1.775900 0.000000 0 -M V30 11 C -0.972400 -2.986200 0.000000 0 -M V30 12 C -3.082800 -2.986200 0.000000 0 -M V30 13 C -2.027600 -3.593100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 2 7 9 -M V30 9 1 7 10 -M V30 10 1 9 11 -M V30 11 2 10 12 -M V30 12 2 11 13 -M V30 13 1 12 13 -M V30 END BOND -M V30 END CTAB -M END -> -379 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.689700 0.448300 0.000000 0 -M V30 2 C -0.410300 0.565500 0.000000 0 -M V30 3 N 1.341400 1.341400 0.000000 0 -M V30 4 C 1.137900 -0.562100 0.000000 0 -M V30 5 C -0.858600 1.572400 0.000000 0 -M V30 6 C 0.889700 2.351700 0.000000 0 -M V30 7 C 0.489700 -1.458600 0.000000 0 -M V30 8 C 2.241400 -0.679300 0.000000 0 -M V30 9 N -0.210300 2.469000 0.000000 0 -M V30 10 N 1.710300 3.089700 0.000000 0 -M V30 11 C 0.941400 -2.469000 0.000000 0 -M V30 12 C 2.689700 -1.689700 0.000000 0 -M V30 13 C 2.041400 -2.582800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 2 8 12 -M V30 12 2 11 13 -M V30 13 1 6 9 -M V30 14 1 12 13 -M V30 END BOND -M V30 END CTAB -M END -> -380 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.231000 -0.120700 0.000000 0 -M V30 2 C 0.000000 -0.837900 0.000000 0 -M V30 3 C -1.231000 1.296600 0.000000 0 -M V30 4 C -2.486200 -0.837900 0.000000 0 -M V30 5 C 1.231000 -0.120700 0.000000 0 -M V30 6 C 0.000000 2.017200 0.000000 0 -M V30 7 C -1.651700 -2.017200 0.000000 0 -M V30 8 C -3.596600 -1.762100 0.000000 0 -M V30 9 C 1.231000 1.296600 0.000000 0 -M V30 10 C 2.486200 -0.837900 0.000000 0 -M V30 11 C 3.503400 0.158600 0.000000 0 -M V30 12 C 3.596600 -1.762100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 1 4 8 -M V30 8 2 5 9 -M V30 9 1 5 10 -M V30 10 1 10 11 -M V30 11 1 10 12 -M V30 12 1 6 9 -M V30 END BOND -M V30 END CTAB -M END -> -381 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.169000 0.048300 0.000000 0 -M V30 2 C -0.034500 0.758600 0.000000 0 -M V30 3 C 1.169000 -1.375900 0.000000 0 -M V30 4 C 2.437900 0.789700 0.000000 0 -M V30 5 C -1.303400 0.048300 0.000000 0 -M V30 6 C -0.034500 -2.086200 0.000000 0 -M V30 7 N 3.675900 0.079300 0.000000 0 -M V30 8 O 2.437900 2.213800 0.000000 0 -M V30 9 C -1.272400 -1.375900 0.000000 0 -M V30 10 C 3.675900 -1.344800 0.000000 0 -M V30 11 O -2.541400 -2.117200 0.000000 0 -M V30 12 C -3.779300 -1.375900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 1 7 10 -M V30 10 1 9 11 -M V30 11 1 11 12 -M V30 12 2 6 9 -M V30 END BOND -M V30 END CTAB -M END -> -382 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.568000 2.097500 0.000000 0 -M V30 2 N 2.139700 2.097500 0.000000 0 -M V30 3 C 3.364400 2.808300 0.000000 0 -M V30 4 C 4.589100 6.299400 0.000000 0 -M V30 5 N 0.830600 0.260500 0.000000 0 -M V30 6 C 3.364400 4.209000 0.000000 0 -M V30 7 N 0.809500 2.533800 0.000000 0 -M V30 8 C 4.589100 4.905800 0.000000 0 -M V30 9 C 0.000000 1.393600 0.000000 0 -M V30 10 C 3.378400 7.010200 0.000000 0 -M V30 11 C 2.160800 4.905800 0.000000 0 -M V30 12 C 2.160800 6.299400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 3 2 -M V30 2 1 4 8 -M V30 3 1 6 3 -M V30 4 1 7 2 -M V30 5 2 8 6 -M V30 6 1 9 5 -M V30 7 1 10 12 -M V30 8 1 11 6 -M V30 9 2 12 11 -M V30 10 2 7 9 -M V30 11 1 3 1 -M V30 12 2 4 10 -M V30 END BOND -M V30 END CTAB -M END -> -383 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 12 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.260000 -0.130000 0.000000 0 -M V30 2 C -0.260000 -0.890000 0.000000 0 -M V30 3 C -0.930000 0.260000 0.000000 0 -M V30 4 C -0.930000 1.040000 0.000000 0 -M V30 5 O 0.410000 -1.280000 0.000000 0 -M V30 6 N -0.260000 1.430000 0.000000 0 -M V30 7 C -1.600000 1.430000 0.000000 0 -M V30 8 C -1.600000 -0.130000 0.000000 0 -M V30 9 C -2.270000 1.040000 0.000000 0 -M V30 10 C 0.410000 0.260000 0.000000 0 -M V30 11 C -2.270000 0.260000 0.000000 0 -M V30 12 C 0.410000 1.040000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 2 4 3 -M V30 4 1 5 2 -M V30 5 1 6 12 -M V30 6 1 7 4 -M V30 7 1 8 3 -M V30 8 1 9 11 -M V30 9 1 10 1 -M V30 10 2 11 8 -M V30 11 1 12 10 -M V30 12 1 4 6 -M V30 13 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -384 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.706900 -0.875900 0.000000 0 -M V30 2 C -0.706900 0.458600 0.000000 0 -M V30 3 C -1.889700 -1.555200 0.000000 0 -M V30 4 C 0.458600 -1.500000 0.000000 0 -M V30 5 C -1.889700 1.137900 0.000000 0 -M V30 6 C -3.006900 -0.875900 0.000000 0 -M V30 7 C 1.624100 -0.875900 0.000000 0 -M V30 8 C -3.006900 0.458600 0.000000 0 -M V30 9 O -1.889700 2.451700 0.000000 0 -M V30 10 N 2.820700 -1.596600 0.000000 0 CHG=1 -M V30 11 C -0.675900 3.203400 0.000000 0 -M V30 12 O 2.820700 -2.955200 0.000000 0 -M V30 13 O 3.979300 -0.844800 0.000000 0 CHG=-1 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 2 4 7 -M V30 7 2 5 8 -M V30 8 1 5 9 -M V30 9 1 7 10 -M V30 10 1 9 11 -M V30 11 2 10 12 -M V30 12 1 10 13 -M V30 13 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -385 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 4.929200 -4.720900 0.000000 0 -M V30 2 C 4.220800 -4.308400 0.000000 0 -M V30 3 C 3.508400 -4.720900 0.000000 0 -M V30 4 C 4.937500 -5.550100 0.000000 0 -M V30 5 N 4.212500 -5.966700 0.000000 0 -M V30 6 C 3.504200 -5.550100 0.000000 0 -M V30 7 C 7.087500 -5.966700 0.000000 0 -M V30 8 C 7.804200 -5.545900 0.000000 0 -M V30 9 C 6.370800 -5.550100 0.000000 0 -M V30 10 C 8.516700 -5.962500 0.000000 0 -M V30 11 S 5.654200 -5.966700 0.000000 0 -M V30 12 C 9.225000 -5.545900 0.000000 0 -M V30 13 C 9.941700 -5.954200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 10 8 -M V30 2 1 11 4 -M V30 3 1 12 10 -M V30 4 2 13 12 -M V30 5 2 3 6 -M V30 6 2 2 1 -M V30 7 1 3 2 -M V30 8 1 4 1 -M V30 9 2 5 4 -M V30 10 1 6 5 -M V30 11 2 7 9 -M V30 12 1 8 7 -M V30 13 1 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -386 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.769000 -0.120700 0.000000 0 -M V30 2 N 2.244800 -0.324100 0.000000 0 -M V30 3 C 3.279300 -0.331000 0.000000 0 -M V30 4 N 2.741400 0.431000 0.000000 0 -M V30 5 C 1.889700 0.103400 0.000000 0 -M V30 6 C 3.724100 0.006900 0.000000 0 -M V30 7 C 3.341400 -0.889700 0.000000 0 -M V30 8 N 2.203400 0.579300 0.000000 0 -M V30 9 S 1.337900 0.010300 0.000000 0 -M V30 10 C 4.244800 -0.220700 0.000000 0 -M V30 11 C 3.851700 -1.110300 0.000000 0 -M V30 12 C 0.982800 0.434500 0.000000 0 -M V30 13 N 4.303400 -0.772400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 1 9 12 -M V30 12 1 10 13 -M V30 13 2 5 8 -M V30 14 2 11 13 -M V30 END BOND -M V30 END CTAB -M END -> -387 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.937900 0.424100 0.000000 0 -M V30 2 C 1.848300 -0.117200 0.000000 0 -M V30 3 C 0.937900 1.458600 0.000000 0 -M V30 4 C 0.031000 -0.103400 0.000000 0 -M V30 5 C 2.786200 0.413800 0.000000 0 -M V30 6 C 1.848300 1.989700 0.000000 0 -M V30 7 N -0.917200 0.424100 0.000000 0 -M V30 8 C 2.786200 1.458600 0.000000 0 -M V30 9 N -1.841400 -0.103400 0.000000 0 -M V30 10 C -1.841400 -1.196600 0.000000 0 -M V30 11 C -0.917200 -1.737900 0.000000 0 -M V30 12 N -2.751700 -1.737900 0.000000 0 -M V30 13 C -2.751700 -2.834500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 2 4 7 -M V30 7 2 5 8 -M V30 8 1 7 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 2 10 12 -M V30 12 1 12 13 -M V30 13 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -388 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 10.372500 -2.667000 0.000000 0 -M V30 2 C 7.575000 -1.047000 0.000000 0 -M V30 3 C 13.170000 -1.047000 0.000000 0 -M V30 4 C 4.777000 -2.699500 0.000000 0 -M V30 5 O 7.575000 2.192000 0.000000 0 -M V30 6 C 4.777000 -5.938500 0.000000 0 -M V30 7 C 10.372500 -5.938500 0.000000 0 -M V30 8 C 5.955000 4.989500 0.000000 0 -M V30 9 C 7.575000 -7.558500 0.000000 0 -M V30 10 O 13.170000 2.192000 0.000000 0 -M V30 11 Cl 1.979500 -1.047000 0.000000 0 -M V30 12 F 2.716000 4.989500 0.000000 0 -M V30 13 Cl 7.558500 -10.814000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 3 1 -M V30 3 1 4 2 -M V30 4 1 5 2 -M V30 5 1 6 9 -M V30 6 1 7 1 -M V30 7 1 8 5 -M V30 8 2 9 7 -M V30 9 2 10 3 -M V30 10 1 11 4 -M V30 11 1 12 8 -M V30 12 1 13 9 -M V30 13 2 6 4 -M V30 END BOND -M V30 END CTAB -M END -> -389 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.527600 -1.575900 0.000000 0 -M V30 2 C -0.420700 -1.017200 0.000000 0 -M V30 3 C 1.513800 -1.017200 0.000000 0 -M V30 4 C 0.527600 -2.665500 0.000000 0 -M V30 5 N -0.420700 0.131000 0.000000 0 -M V30 6 C 2.496600 -1.575900 0.000000 0 -M V30 7 C 1.513800 -3.220700 0.000000 0 -M V30 8 C 0.527600 0.689700 0.000000 0 -M V30 9 C -1.403400 0.689700 0.000000 0 -M V30 10 C 2.496600 -2.665500 0.000000 0 -M V30 11 C 0.527600 1.803400 0.000000 0 -M V30 12 C -1.403400 1.803400 0.000000 0 -M V30 13 O -2.386200 0.155200 0.000000 0 -M V30 14 C -0.420700 2.358600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 2 8 11 -M V30 11 1 9 12 -M V30 12 2 9 13 -M V30 13 1 11 14 -M V30 14 2 7 10 -M V30 15 2 12 14 -M V30 END BOND -M V30 END CTAB -M END -> -390 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -1.158600 -0.858600 0.000000 0 -M V30 2 C -2.137900 -1.162100 0.000000 0 -M V30 3 O -0.817200 0.075900 0.000000 0 -M V30 4 C -3.010300 -0.655200 0.000000 0 -M V30 5 C 0.162100 0.248300 0.000000 0 -M V30 6 N -3.010300 -2.675900 0.000000 0 -M V30 7 C -3.882800 -1.162100 0.000000 0 -M V30 8 C 0.496600 1.182800 0.000000 0 -M V30 9 C -3.882800 -2.172400 0.000000 0 -M V30 10 C 1.496600 1.355200 0.000000 0 -M V30 11 C -0.158600 1.958600 0.000000 0 -M V30 12 C 1.841400 2.313800 0.000000 0 -M V30 13 C 0.182800 2.917200 0.000000 0 -M V30 14 C 1.186200 3.100000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 2 4 7 -M V30 6 1 5 8 -M V30 7 2 6 9 -M V30 8 2 8 10 -M V30 9 1 8 11 -M V30 10 1 10 12 -M V30 11 2 11 13 -M V30 12 2 12 14 -M V30 13 1 7 9 -M V30 14 1 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -391 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.010300 0.010300 0.000000 0 -M V30 2 N 0.875900 -0.503400 0.000000 0 -M V30 3 C -0.010300 1.041400 0.000000 0 -M V30 4 N -0.906900 -0.503400 0.000000 0 -M V30 5 C 1.772400 0.010300 0.000000 0 -M V30 6 C 1.110300 -1.537900 0.000000 0 -M V30 7 C -0.906900 1.558600 0.000000 0 -M V30 8 C 0.875900 1.558600 0.000000 0 -M V30 9 C -1.796600 0.010300 0.000000 0 -M V30 10 N 2.544800 -0.703400 0.000000 0 -M V30 11 C 1.772400 1.041400 0.000000 0 -M V30 12 C 2.106900 -1.617200 0.000000 0 -M V30 13 C -1.796600 1.041400 0.000000 0 -M V30 14 C 2.606900 -2.500000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 2 4 9 -M V30 9 2 5 10 -M V30 10 1 5 11 -M V30 11 2 6 12 -M V30 12 2 7 13 -M V30 13 1 12 14 -M V30 14 2 8 11 -M V30 15 1 9 13 -M V30 16 1 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -392 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.151700 0.475900 0.000000 0 -M V30 2 C -1.131000 -0.310300 0.000000 0 -M V30 3 C -3.348300 0.000000 0.000000 0 -M V30 4 N -2.244800 1.758600 0.000000 0 -M V30 5 N 0.044800 0.155200 0.000000 0 -M V30 6 N -1.313800 -1.579300 0.000000 0 -M V30 7 N -4.179300 0.972400 0.000000 0 -M V30 8 N -3.527600 -1.269000 0.000000 0 -M V30 9 C -3.489700 2.069000 0.000000 0 -M V30 10 C 1.058600 -0.620700 0.000000 0 -M V30 11 C 2.255200 -0.131000 0.000000 0 -M V30 12 C 3.344800 -0.810300 0.000000 0 -M V30 13 O 2.565500 1.103400 0.000000 0 -M V30 14 C 4.344800 0.000000 0.000000 0 -M V30 15 C 3.858600 1.186200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 1 5 10 -M V30 10 1 10 11 -M V30 11 2 11 12 -M V30 12 1 11 13 -M V30 13 1 12 14 -M V30 14 1 13 15 -M V30 15 2 7 9 -M V30 16 2 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -393 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.793100 -0.731000 0.000000 0 -M V30 2 C -3.569000 -0.282800 0.000000 0 -M V30 3 C -2.017200 -0.282800 0.000000 0 -M V30 4 C -2.793100 -1.631000 0.000000 0 -M V30 5 C -4.344800 -0.731000 0.000000 0 -M V30 6 N -1.241400 -0.724100 0.000000 0 -M V30 7 C -3.569000 -2.082800 0.000000 0 -M V30 8 C -4.344800 -1.631000 0.000000 0 -M V30 9 O -0.475900 -0.272400 0.000000 0 -M V30 10 C 0.289700 -0.713800 0.000000 0 -M V30 11 C 1.048300 -0.272400 0.000000 0 -M V30 12 C 1.824100 -0.693100 0.000000 0 -M V30 13 C 1.048300 0.610300 0.000000 0 -M V30 14 C 1.803400 1.058600 0.000000 0 -M V30 15 C 2.579300 0.637900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 2 11 12 -M V30 12 1 11 13 -M V30 13 2 13 14 -M V30 14 2 7 8 -M V30 15 1 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -394 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.979300 -0.162100 0.000000 0 -M V30 2 C -3.006900 -1.051700 0.000000 0 -M V30 3 C -2.506900 1.082800 0.000000 0 -M V30 4 C -0.655200 -0.475900 0.000000 0 -M V30 5 N -4.172400 -0.348300 0.000000 0 -M V30 6 C -2.893100 -2.410300 0.000000 0 -M V30 7 N -3.862100 0.972400 0.000000 0 -M V30 8 O -1.803400 2.251700 0.000000 0 -M V30 9 N 0.272400 0.513800 0.000000 0 -M V30 10 N 1.600000 0.203400 0.000000 0 -M V30 11 C 2.527600 1.196600 0.000000 0 -M V30 12 C 1.989700 -1.096600 0.000000 0 -M V30 13 C 3.851700 0.886200 0.000000 0 -M V30 14 C 3.313800 -1.403400 0.000000 0 -M V30 15 O 4.248300 -0.413800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 3 8 -M V30 8 1 4 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 1 10 12 -M V30 12 1 11 13 -M V30 13 1 12 14 -M V30 14 1 13 15 -M V30 15 1 5 7 -M V30 16 1 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -395 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.644800 0.134500 0.000000 0 -M V30 2 O -0.444800 0.224100 0.000000 0 -M V30 3 C -2.162100 -0.951700 0.000000 0 -M V30 4 C -2.324100 1.124100 0.000000 0 -M V30 5 C 0.234500 -0.772400 0.000000 0 -M V30 6 C -3.362100 -1.044800 0.000000 0 -M V30 7 C -3.520700 1.034500 0.000000 0 -M V30 8 C 1.451700 -0.675900 0.000000 0 -M V30 9 C -4.041400 -0.065500 0.000000 0 -M V30 10 O 2.203400 0.275900 0.000000 0 -M V30 11 C 2.131000 -1.672400 0.000000 0 -M V30 12 C 3.320700 -0.144800 0.000000 0 -M V30 13 C 3.289700 -1.324100 0.000000 0 -M V30 14 C 4.331000 0.537900 0.000000 0 -M V30 15 O 4.258600 1.734500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 2 8 11 -M V30 11 1 10 12 -M V30 12 1 11 13 -M V30 13 1 12 14 -M V30 14 2 14 15 -M V30 15 2 7 9 -M V30 16 2 12 13 -M V30 END BOND -M V30 END CTAB -M END -> -396 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.400000 0.233300 0.000000 0 -M V30 2 C -0.150000 1.995800 0.000000 0 -M V30 3 C -1.933300 2.400000 0.000000 0 -M V30 4 O 2.204200 -0.166700 0.000000 0 -M V30 5 C -0.862500 -1.116700 0.000000 0 -M V30 6 C -3.200000 1.062500 0.000000 0 -M V30 7 Cl 1.100000 3.345800 0.000000 0 -M V30 8 C -2.645800 -0.704200 0.000000 0 -M V30 9 F -5.000000 1.450000 0.000000 0 -M V30 10 N 4.066700 3.062500 0.000000 0 -M V30 11 C 4.066700 -0.166700 0.000000 0 -M V30 12 C 5.000000 1.450000 0.000000 0 -M V30 13 C 5.000000 -1.779200 0.000000 0 -M V30 14 C 4.066700 -3.387500 0.000000 0 -M V30 15 C 5.000000 -5.000000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 1 3 2 -M V30 3 1 4 1 -M V30 4 1 5 1 -M V30 5 1 6 8 -M V30 6 1 7 2 -M V30 7 2 8 5 -M V30 8 1 9 6 -M V30 9 1 10 12 -M V30 10 1 11 4 -M V30 11 1 12 11 -M V30 12 1 13 11 -M V30 13 1 14 13 -M V30 14 1 15 14 -M V30 15 2 6 3 -M V30 END BOND -M V30 END CTAB -M END -> -397 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.841400 -0.344800 0.000000 0 -M V30 2 C -1.734500 -0.862100 0.000000 0 -M V30 3 N 0.051700 -0.862100 0.000000 0 -M V30 4 O -0.841400 0.686200 0.000000 0 -M V30 5 C -1.734500 -1.893100 0.000000 0 -M V30 6 C 0.051700 -1.893100 0.000000 0 -M V30 7 C 0.051700 1.200000 0.000000 0 -M V30 8 N -0.841400 -2.406900 0.000000 0 -M V30 9 C -2.627600 -2.406900 0.000000 0 -M V30 10 C 0.051700 2.231000 0.000000 0 -M V30 11 C 0.944800 0.686200 0.000000 0 -M V30 12 C 0.944800 2.748300 0.000000 0 -M V30 13 C 1.837900 1.200000 0.000000 0 -M V30 14 C 1.837900 2.231000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 5 9 -M V30 9 1 7 10 -M V30 10 2 7 11 -M V30 11 2 10 12 -M V30 12 1 11 13 -M V30 13 1 12 14 -M V30 14 2 6 8 -M V30 15 2 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -398 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -1.465500 1.351700 0.000000 0 -M V30 2 C -1.606900 2.020700 0.000000 0 -M V30 3 C -0.817200 1.137900 0.000000 0 -M V30 4 C -1.969000 0.893100 0.000000 0 -M V30 5 C -2.255200 2.237900 0.000000 0 -M V30 6 N -1.089700 2.482800 0.000000 0 -M V30 7 N -0.300000 1.596600 0.000000 0 -M V30 8 C -2.620700 1.106900 0.000000 0 -M V30 9 C -1.827600 0.224100 0.000000 0 -M V30 10 C -2.396600 2.906900 0.000000 0 -M V30 11 C -3.134500 0.651700 0.000000 0 -M V30 12 C -2.344800 -0.234500 0.000000 0 -M V30 13 C -3.044800 3.124100 0.000000 0 -M V30 14 C -2.993100 -0.024100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 2 4 9 -M V30 9 1 5 10 -M V30 10 2 8 11 -M V30 11 1 9 12 -M V30 12 2 10 13 -M V30 13 1 11 14 -M V30 14 1 6 7 -M V30 15 2 12 14 -M V30 END BOND -M V30 END CTAB -M END -> -399 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 7.157900 -4.013200 0.000000 0 -M V30 2 C 7.150400 -4.838200 0.000000 0 -M V30 3 O 6.431300 -3.619100 0.000000 0 -M V30 4 C 6.410900 -2.794400 0.000000 0 -M V30 5 N 5.686500 -2.399700 0.000000 0 -M V30 6 C 5.804400 -0.958300 0.000000 0 -M V30 7 C 5.521700 -0.182900 0.000000 0 -M V30 8 C 6.623100 -0.941200 0.000000 0 -M V30 9 C 5.328900 -1.646000 0.000000 0 -M V30 10 O 6.187400 0.326300 0.000000 0 -M V30 11 C 6.864600 -0.152700 0.000000 0 -M V30 12 O 7.649700 0.126000 0.000000 0 -M V30 13 C 4.498900 -1.578800 0.000000 0 -M V30 14 C 4.023400 -2.266300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 6 8 -M V30 6 1 13 14 -M V30 7 1 6 9 -M V30 8 1 7 10 -M V30 9 1 8 11 -M V30 10 1 11 12 -M V30 11 1 10 11 -M V30 12 1 9 13 -M V30 13 1 6 7 -M V30 14 1 9 5 -M V30 END BOND -M V30 END CTAB -M END -> -400 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.490000 0.740000 0.000000 0 -M V30 2 C -1.490000 1.400000 0.000000 0 -M V30 3 C -2.630000 1.400000 0.000000 0 -M V30 4 C -2.630000 0.740000 0.000000 0 -M V30 5 C -0.850000 1.600000 0.000000 0 -M V30 6 C -0.850000 0.540000 0.000000 0 -M V30 7 S -0.470000 1.080000 0.000000 0 -M V30 8 O -2.070000 0.400000 0.000000 0 -M V30 9 O -2.070000 1.740000 0.000000 0 -M V30 10 C -3.190000 1.720000 0.000000 0 -M V30 11 C -3.190000 0.420000 0.000000 0 -M V30 12 C -0.640000 -0.070000 0.000000 0 -M V30 13 F -3.720000 1.350000 0.000000 0 -M V30 14 F -2.830000 -0.160000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 2 3 4 -M V30 3 1 4 8 -M V30 4 2 5 2 -M V30 5 2 6 1 -M V30 6 1 7 6 -M V30 7 1 8 1 -M V30 8 1 9 2 -M V30 9 1 10 3 -M V30 10 1 11 4 -M V30 11 1 12 6 -M V30 12 1 13 10 -M V30 13 1 14 11 -M V30 14 1 7 5 -M V30 15 1 9 3 -M V30 END BOND -M V30 END CTAB -M END -> -401 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -1.827600 -1.451700 0.000000 0 -M V30 2 C -2.169000 -0.144800 0.000000 0 -M V30 3 C -0.306900 -1.451700 0.000000 0 -M V30 4 N -2.934500 -2.362100 0.000000 0 -M V30 5 S -1.037900 0.744800 0.000000 0 -M V30 6 N -3.682800 -0.148300 0.000000 0 -M V30 7 C 0.165500 -0.203400 0.000000 0 -M V30 8 C 0.617200 -2.555200 0.000000 0 -M V30 9 C -4.113800 -1.510300 0.000000 0 -M V30 10 C 1.586200 0.048300 0.000000 0 -M V30 11 N 2.093100 1.393100 0.000000 0 -M V30 12 C 2.513800 -1.037900 0.000000 0 -M V30 13 O 3.406900 1.393100 0.000000 0 -M V30 14 C 4.113800 2.624100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 2 3 7 -M V30 7 1 3 8 -M V30 8 2 4 9 -M V30 9 1 7 10 -M V30 10 2 10 11 -M V30 11 1 10 12 -M V30 12 1 11 13 -M V30 13 1 13 14 -M V30 14 1 5 7 -M V30 15 1 6 9 -M V30 END BOND -M V30 END CTAB -M END -> -402 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.910300 0.141400 0.000000 0 -M V30 2 S -0.110300 0.831000 0.000000 0 -M V30 3 C 0.910300 -1.017200 0.000000 0 -M V30 4 C 1.955200 0.741400 0.000000 0 -M V30 5 N -1.041400 1.627600 0.000000 0 -M V30 6 C 1.944800 -1.617200 0.000000 0 -M V30 7 C 2.979300 0.151700 0.000000 0 -M V30 8 C -2.262100 1.324100 0.000000 0 -M V30 9 C 2.979300 -1.013800 0.000000 0 -M V30 10 C -3.010300 0.244800 0.000000 0 -M V30 11 Cl 4.017200 -1.606900 0.000000 0 -M V30 12 C -2.796600 -0.924100 0.000000 0 -M V30 13 Cl -4.189700 0.403400 0.000000 0 -M V30 14 O -3.989700 -1.231000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 1 9 11 -M V30 11 1 10 12 -M V30 12 1 10 13 -M V30 13 1 12 14 -M V30 14 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -403 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 8.364200 -4.590300 0.000000 0 -M V30 2 C 8.165000 -3.785700 0.000000 0 -M V30 3 N 7.338100 -3.726500 0.000000 0 -M V30 4 C 7.026400 -4.494600 0.000000 0 -M V30 5 C 6.902000 -3.026200 0.000000 0 -M V30 6 C 4.403100 -3.028400 0.000000 0 -M V30 7 N 3.591400 -3.028400 0.000000 0 -M V30 8 C 4.823800 -3.745500 0.000000 0 -M V30 9 C 3.085600 -2.372400 0.000000 0 -M V30 10 C 3.118500 -3.684500 0.000000 0 -M V30 11 C 5.658300 -3.745500 0.000000 0 -M V30 12 C 6.071400 -3.028400 0.000000 0 -M V30 13 C 2.321900 -2.648300 0.000000 0 -M V30 14 C 2.345800 -3.440200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 3 5 -M V30 5 1 7 9 -M V30 6 1 7 10 -M V30 7 2 8 11 -M V30 8 1 9 13 -M V30 9 1 10 14 -M V30 10 1 12 5 -M V30 11 1 11 12 -M V30 12 1 13 14 -M V30 13 1 6 7 -M V30 14 1 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -404 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 2.572400 1.120700 0.000000 0 -M V30 2 O 1.627600 0.510300 0.000000 0 -M V30 3 C 2.696600 2.251700 0.000000 0 -M V30 4 C 3.582800 0.662100 0.000000 0 -M V30 5 C 0.634500 1.044800 0.000000 0 -M V30 6 C 3.810300 2.479300 0.000000 0 -M V30 7 C 4.344800 1.534500 0.000000 0 -M V30 8 C -0.358600 0.465500 0.000000 0 -M V30 9 N -1.351700 1.062100 0.000000 0 -M V30 10 C -0.358600 -0.665500 0.000000 0 -M V30 11 C -2.344800 0.527600 0.000000 0 -M V30 12 O -2.358600 -0.620700 0.000000 0 -M V30 13 C -3.382800 -1.137900 0.000000 0 -M V30 14 C -4.344800 -0.527600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 8 9 -M V30 9 1 8 10 -M V30 10 1 9 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 1 13 14 -M V30 14 1 6 7 -M V30 END BOND -M V30 END CTAB -M END -> -405 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.586200 0.234500 0.000000 0 -M V30 2 C 1.289700 -0.172400 0.000000 0 -M V30 3 N -0.117200 -0.172400 0.000000 0 -M V30 4 N 0.586200 1.048300 0.000000 0 -M V30 5 N 1.989700 0.234500 0.000000 0 -M V30 6 N -0.827600 0.234500 0.000000 0 -M V30 7 N -0.827600 1.048300 0.000000 0 -M V30 8 C 2.696600 -0.172400 0.000000 0 -M V30 9 C 1.989700 1.048300 0.000000 0 -M V30 10 C -1.527600 -0.172400 0.000000 0 -M V30 11 C 3.403400 0.234500 0.000000 0 -M V30 12 N 3.403400 1.048300 0.000000 0 -M V30 13 C -2.234500 0.234500 0.000000 0 -M V30 14 O -2.937900 -0.172400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 2 8 11 -M V30 11 2 9 12 -M V30 12 1 10 13 -M V30 13 1 13 14 -M V30 14 1 6 7 -M V30 15 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -406 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -4.774000 0.329000 0.000000 0 -M V30 2 C -10.039000 -2.707500 0.000000 0 -M V30 3 C -10.033500 3.368000 0.000000 0 -M V30 4 C -11.790500 0.331500 0.000000 0 -M V30 5 C -11.792000 -5.745500 0.000000 0 -M V30 6 C -16.000000 10.197000 0.000000 0 -M V30 7 C -12.963500 11.950500 0.000000 0 -M V30 8 C -10.358500 9.605500 0.000000 0 -M V30 9 C -11.786000 6.404000 0.000000 0 -M V30 10 O -1.269000 3.834500 0.000000 0 -M V30 11 N -6.530500 -2.707500 0.000000 0 -M V30 12 N -6.528000 3.365000 0.000000 0 -M V30 13 O -15.268500 6.768000 0.000000 0 -M V30 14 S -1.269000 0.329000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 11 2 -M V30 2 1 1 11 -M V30 3 1 12 3 -M V30 4 2 3 4 -M V30 5 1 4 2 -M V30 6 2 12 1 -M V30 7 2 10 14 -M V30 8 1 14 1 -M V30 9 1 5 2 -M V30 10 2 6 7 -M V30 11 1 13 6 -M V30 12 2 9 8 -M V30 13 1 8 7 -M V30 14 1 13 9 -M V30 15 1 9 3 -M V30 END BOND -M V30 END CTAB -M END -> -407 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.062500 -1.120800 0.000000 0 -M V30 2 C 1.350600 -1.538500 0.000000 0 -M V30 3 O 0.630300 -1.131100 0.000000 0 -M V30 4 C 2.055900 -0.291700 0.000000 0 -M V30 5 N 2.054100 0.537500 0.000000 0 -M V30 6 C 5.667700 -1.529200 0.000000 0 -M V30 7 C 6.388800 -1.121400 0.000000 0 -M V30 8 C 4.952700 -1.121400 0.000000 0 -M V30 9 C 7.114100 -1.529200 0.000000 0 -M V30 10 C 4.234400 -1.529200 0.000000 0 -M V30 11 C 7.832400 -1.121400 0.000000 0 -M V30 12 C 3.509100 -1.121400 0.000000 0 -M V30 13 C 8.553600 -1.529200 0.000000 0 -M V30 14 C 2.787900 -1.529200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 3 -M V30 2 1 1 4 -M V30 3 1 1 2 -M V30 4 3 4 5 -M V30 5 1 6 7 -M V30 6 1 6 8 -M V30 7 1 7 9 -M V30 8 1 8 10 -M V30 9 1 9 11 -M V30 10 2 10 12 -M V30 11 1 11 13 -M V30 12 1 12 14 -M V30 13 2 14 1 -M V30 END BOND -M V30 END CTAB -M END -> -408 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 S 6.216700 -1.658400 0.000000 0 -M V30 2 C 5.629200 -1.658400 0.000000 0 -M V30 3 N 6.225000 -2.245900 0.000000 0 -M V30 4 N 6.229200 -3.429200 0.000000 0 -M V30 5 C 6.241700 -4.016700 0.000000 0 -M V30 6 C 5.341700 -2.158400 0.000000 0 -M V30 7 C 5.716700 -2.545900 0.000000 0 -M V30 8 C 5.341700 -1.154200 0.000000 0 -M V30 9 C 5.741700 -4.329200 0.000000 0 -M V30 10 C 5.716700 -3.141700 0.000000 0 -M V30 11 C 4.762500 -1.154200 0.000000 0 -M V30 12 C 4.766700 -2.158400 0.000000 0 -M V30 13 C 5.754200 -4.920900 0.000000 0 -M V30 14 C 4.479200 -1.654200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 5 4 -M V30 4 1 6 2 -M V30 5 1 7 3 -M V30 6 2 8 2 -M V30 7 2 9 5 -M V30 8 1 10 7 -M V30 9 1 11 8 -M V30 10 2 12 6 -M V30 11 1 13 9 -M V30 12 2 14 11 -M V30 13 1 4 10 -M V30 14 1 14 12 -M V30 END BOND -M V30 END CTAB -M END -> -409 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 0.355200 -1.241400 0.000000 0 -M V30 2 C 1.524100 -0.393100 0.000000 0 -M V30 3 C -0.793100 -0.431000 0.000000 0 -M V30 4 C 0.355200 -2.651700 0.000000 0 -M V30 5 C 1.089700 0.944800 0.000000 0 -M V30 6 C -0.358600 0.944800 0.000000 0 -M V30 7 O -0.872400 -3.334500 0.000000 0 -M V30 8 O 1.593100 -3.334500 0.000000 0 -M V30 9 C 1.931000 2.055200 0.000000 0 -M V30 10 C -1.210300 2.075900 0.000000 0 -M V30 11 C -2.131000 -2.631000 0.000000 0 -M V30 12 O 3.269000 1.827600 0.000000 0 -M V30 13 O 1.465500 3.427600 0.000000 0 -M V30 14 C -1.379300 -1.372400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 7 11 -M V30 11 1 9 12 -M V30 12 2 9 13 -M V30 13 1 11 14 -M V30 14 1 5 6 -M V30 END BOND -M V30 END CTAB -M END -> -410 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.931000 1.013800 0.000000 0 -M V30 2 N -1.517200 1.010300 0.000000 0 -M V30 3 C -2.931000 0.196600 0.000000 0 -M V30 4 C -3.641400 1.424100 0.000000 0 -M V30 5 C -0.810300 1.420700 0.000000 0 -M V30 6 C -3.641400 -0.210300 0.000000 0 -M V30 7 C -4.344800 1.013800 0.000000 0 -M V30 8 N -0.106900 1.013800 0.000000 0 -M V30 9 C -4.344800 0.196600 0.000000 0 -M V30 10 C -0.106900 0.200000 0.000000 0 -M V30 11 C 0.596600 1.420700 0.000000 0 -M V30 12 C 0.596600 -0.206900 0.000000 0 -M V30 13 C 1.300000 1.013800 0.000000 0 -M V30 14 N 1.300000 0.200000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 2 6 9 -M V30 9 1 8 10 -M V30 10 1 8 11 -M V30 11 1 10 12 -M V30 12 1 11 13 -M V30 13 1 12 14 -M V30 14 1 7 9 -M V30 15 1 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -411 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -7.696000 -1.004000 0.000000 0 -M V30 2 O -4.593000 -2.007500 0.000000 0 -M V30 3 C -10.372500 -2.859500 0.000000 0 -M V30 4 C -7.696000 2.220500 0.000000 0 -M V30 5 C 10.312000 0.608500 0.000000 0 -M V30 6 C -2.616000 0.639000 0.000000 0 -M V30 7 C -4.593000 3.285000 0.000000 0 -M V30 8 C 7.057000 0.608500 0.000000 0 -M V30 9 C 5.384000 -2.220500 0.000000 0 -M V30 10 O 2.129500 -2.220500 0.000000 0 -M V30 11 C 0.517000 0.639000 0.000000 0 -M V30 12 C 11.954500 -2.220500 0.000000 0 -M V30 13 C 10.312000 -5.019000 0.000000 0 -M V30 14 C 7.057000 -5.019000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 6 -M V30 3 1 3 1 -M V30 4 1 4 7 -M V30 5 1 6 11 -M V30 6 2 7 6 -M V30 7 2 8 5 -M V30 8 1 9 8 -M V30 9 1 10 9 -M V30 10 1 11 10 -M V30 11 1 12 5 -M V30 12 2 13 12 -M V30 13 1 14 13 -M V30 14 2 9 14 -M V30 15 2 1 4 -M V30 END BOND -M V30 END CTAB -M END -> -412 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 1.431200 0.682000 0.000000 0 -M V30 2 C 0.096100 -0.086400 0.000000 0 -M V30 3 C -1.239100 0.682000 0.000000 0 -M V30 4 N -2.574200 -0.086400 0.000000 0 -M V30 5 C -3.899800 0.682000 0.000000 0 -M V30 6 C -5.234900 -0.086400 0.000000 0 -M V30 7 C -5.234900 -1.632900 0.000000 0 -M V30 8 N -6.570000 -2.401300 0.000000 0 -M V30 9 C -7.905200 -1.632900 0.000000 0 -M V30 10 C -9.240300 -2.401300 0.000000 0 -M V30 11 C -7.905200 -0.086400 0.000000 0 -M V30 12 C -10.565900 -1.632900 0.000000 0 -M V30 13 C -9.240300 0.682000 0.000000 0 -M V30 14 C -10.565900 -0.086400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 1 4 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 8 9 -M V30 9 2 9 10 -M V30 10 1 9 11 -M V30 11 1 10 12 -M V30 12 2 11 13 -M V30 13 2 12 14 -M V30 14 1 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -413 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 6.554200 -2.370800 0.000000 0 -M V30 2 C 6.551000 -1.544100 0.000000 0 -M V30 3 C 7.265400 -1.128000 0.000000 0 -M V30 4 C 5.833500 -1.133500 0.000000 0 -M V30 5 C 5.117000 -4.055600 0.000000 0 -M V30 6 C 5.824200 -3.629600 0.000000 0 -M V30 7 C 4.413900 -3.629600 0.000000 0 -M V30 8 O 5.117000 -4.869300 0.000000 0 -M V30 9 C 5.824200 -2.815800 0.000000 0 -M V30 10 O 6.531500 -4.025900 0.000000 0 -M V30 11 C 4.413900 -2.815800 0.000000 0 -M V30 12 C 5.824200 -5.278500 0.000000 0 -M V30 13 C 5.117000 -2.389800 0.000000 0 -M V30 14 F 6.280100 -6.011200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 4 -M V30 2 1 2 3 -M V30 3 1 1 2 -M V30 4 1 5 6 -M V30 5 2 5 7 -M V30 6 1 5 8 -M V30 7 2 6 9 -M V30 8 1 6 10 -M V30 9 1 7 11 -M V30 10 1 8 12 -M V30 11 1 9 13 -M V30 12 1 9 1 -M V30 13 1 12 14 -M V30 14 2 11 13 -M V30 END BOND -M V30 END CTAB -M END -> -414 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.213800 0.093100 0.000000 0 -M V30 2 N 1.082800 0.034500 0.000000 0 -M V30 3 C -0.820700 1.269000 0.000000 0 -M V30 4 C -0.934500 -1.010300 0.000000 0 -M V30 5 N 1.903400 1.062100 0.000000 0 -M V30 6 C 1.810300 -1.058600 0.000000 0 -M V30 7 C -2.141400 1.327600 0.000000 0 -M V30 8 Cl -0.110300 2.379300 0.000000 0 -M V30 9 C -2.251700 -0.937900 0.000000 0 -M V30 10 Cl -0.327600 -2.179300 0.000000 0 -M V30 11 C 3.148300 0.589700 0.000000 0 -M V30 12 C 3.086200 -0.706900 0.000000 0 -M V30 13 O 1.337900 -2.289700 0.000000 0 -M V30 14 C -2.858600 0.213800 0.000000 0 -M V30 15 N 4.251700 1.317200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 2 4 9 -M V30 9 1 4 10 -M V30 10 2 5 11 -M V30 11 1 6 12 -M V30 12 2 6 13 -M V30 13 2 7 14 -M V30 14 1 11 15 -M V30 15 1 9 14 -M V30 16 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -415 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.062100 1.082800 0.000000 0 -M V30 2 C 0.062100 0.251700 0.000000 0 -M V30 3 C -0.655200 1.493100 0.000000 0 -M V30 4 O 0.779300 1.493100 0.000000 0 -M V30 5 C 0.779300 -0.165500 0.000000 0 -M V30 6 C -0.655200 -0.165500 0.000000 0 -M V30 7 C -1.369000 1.075900 0.000000 0 -M V30 8 C 1.496600 1.082800 0.000000 0 -M V30 9 C 1.496600 0.248300 0.000000 0 -M V30 10 C -1.369000 0.248300 0.000000 0 -M V30 11 O 2.210300 -0.165500 0.000000 0 -M V30 12 C 2.927600 -0.579300 0.000000 0 -M V30 13 C 3.631000 -0.165500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 9 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 2 7 10 -M V30 14 2 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -416 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.413800 0.172400 0.000000 0 -M V30 2 C -1.406900 -0.641400 0.000000 0 -M V30 3 C -0.641400 0.441400 0.000000 0 -M V30 4 C -2.127600 0.572400 0.000000 0 -M V30 5 S -0.624100 -0.882800 0.000000 0 -M V30 6 C -2.106900 -1.069000 0.000000 0 -M V30 7 C -0.151700 -0.217200 0.000000 0 -M V30 8 C -2.831000 0.148300 0.000000 0 -M V30 9 C -2.820700 -0.665500 0.000000 0 -M V30 10 C 0.669000 -0.203400 0.000000 0 -M V30 11 N 1.086200 -0.906900 0.000000 0 -M V30 12 C 1.900000 -0.893100 0.000000 0 -M V30 13 C 2.289700 -0.182800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 6 9 -M V30 9 1 7 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 1 5 7 -M V30 14 2 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -417 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.900000 -0.193100 0.000000 0 -M V30 2 S 0.372400 -1.103400 0.000000 0 -M V30 3 S 1.941400 -0.179300 0.000000 0 -M V30 4 C 0.582800 0.789700 0.000000 0 -M V30 5 C -0.534500 -0.575900 0.000000 0 -M V30 6 C 2.258600 0.800000 0.000000 0 -M V30 7 C 1.427600 1.386200 0.000000 0 -M V30 8 C -0.534500 0.462100 0.000000 0 -M V30 9 N -1.437900 -1.093100 0.000000 0 -M V30 10 C -1.437900 0.975900 0.000000 0 -M V30 11 C -2.337900 -0.565500 0.000000 0 -M V30 12 C -2.337900 0.448300 0.000000 0 -M V30 13 C -3.275900 0.951700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 2 5 8 -M V30 8 1 5 9 -M V30 9 1 8 10 -M V30 10 2 9 11 -M V30 11 2 10 12 -M V30 12 1 12 13 -M V30 13 2 6 7 -M V30 14 1 11 12 -M V30 END BOND -M V30 END CTAB -M END -> -418 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.917200 -1.993100 0.000000 0 -M V30 2 C -0.513800 -1.300000 0.000000 0 -M V30 3 C -0.513800 -2.689700 0.000000 0 -M V30 4 C 0.282800 -1.300000 0.000000 0 -M V30 5 C 0.282800 -2.689700 0.000000 0 -M V30 6 N 0.686200 -0.610300 0.000000 0 -M V30 7 C 0.686200 -1.993100 0.000000 0 -M V30 8 C 1.482800 -0.610300 0.000000 0 -M V30 9 N 1.886200 0.082800 0.000000 0 -M V30 10 C 2.682800 0.082800 0.000000 0 -M V30 11 C 3.086200 0.775900 0.000000 0 -M V30 12 C 3.886200 0.775900 0.000000 0 -M V30 13 C 4.286200 1.469000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 2 3 5 -M V30 5 1 4 6 -M V30 6 2 4 7 -M V30 7 1 6 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 2 12 13 -M V30 13 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -419 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.175900 2.255200 0.000000 0 -M V30 2 C 0.427600 1.824100 0.000000 0 -M V30 3 C 1.941400 1.824100 0.000000 0 -M V30 4 C 1.169000 3.141400 0.000000 0 -M V30 5 C 0.427600 0.944800 0.000000 0 -M V30 6 C 2.731000 2.282800 0.000000 0 -M V30 7 C 1.955200 3.593100 0.000000 0 -M V30 8 N -0.313800 0.531000 0.000000 0 -M V30 9 C 2.731000 3.155200 0.000000 0 -M V30 10 C -1.072400 0.969000 0.000000 0 -M V30 11 C -1.862100 0.524100 0.000000 0 -M V30 12 C -1.862100 -0.348300 0.000000 0 -M V30 13 C -1.072400 -0.800000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -420 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.886200 -0.303400 0.000000 0 -M V30 2 N 3.358600 -0.575900 0.000000 0 -M V30 3 C 2.403400 -0.575900 0.000000 0 -M V30 4 C 2.886200 0.248300 0.000000 0 -M V30 5 C 3.351700 -1.131000 0.000000 0 -M V30 6 C 3.834500 -0.303400 0.000000 0 -M V30 7 C 1.927600 -0.303400 0.000000 0 -M V30 8 C 2.403400 0.524100 0.000000 0 -M V30 9 C 3.831000 -1.403400 0.000000 0 -M V30 10 C 4.310300 -0.582800 0.000000 0 -M V30 11 C 1.927600 0.241400 0.000000 0 -M V30 12 O 4.306900 -1.134500 0.000000 0 -M V30 13 N 1.451700 0.513800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 2 7 11 -M V30 11 1 9 12 -M V30 12 1 11 13 -M V30 13 1 8 11 -M V30 14 1 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -421 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 12 0 0 0 -M V30 BEGIN ATOM -M V30 1 S -0.110300 0.069000 0.000000 0 -M V30 2 S 0.110300 -0.051700 0.000000 0 -M V30 3 C -0.344800 -0.051700 0.000000 0 -M V30 4 C 0.344800 0.069000 0.000000 0 -M V30 5 C -0.579300 0.069000 0.000000 0 -M V30 6 C 0.579300 -0.051700 0.000000 0 -M V30 7 C -0.813800 -0.055200 0.000000 0 -M V30 8 C 0.813800 0.072400 0.000000 0 -M V30 9 C -1.048300 0.069000 0.000000 0 -M V30 10 C -1.286200 -0.055200 0.000000 0 -M V30 11 C -1.524100 0.069000 0.000000 0 -M V30 12 C -1.751700 -0.055200 0.000000 0 -M V30 13 C -1.989700 0.069000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 7 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 END BOND -M V30 END CTAB -M END -> -422 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.027600 -0.158600 0.000000 0 -M V30 2 C -2.358600 0.417200 0.000000 0 -M V30 3 C -2.410300 -0.737900 0.000000 0 -M V30 4 P -0.162100 0.034500 0.000000 0 -M V30 5 C -2.993100 0.417200 0.000000 0 -M V30 6 C -3.055200 -0.737900 0.000000 0 -M V30 7 As 1.062100 0.034500 0.000000 0 -M V30 8 C -3.379300 -0.158600 0.000000 0 -M V30 9 C 1.962100 0.034500 0.000000 0 -M V30 10 C -3.827600 -0.355200 0.000000 0 -M V30 11 Si 3.437900 0.672400 0.000000 0 -M V30 12 Si 3.317200 -0.613800 0.000000 0 -M V30 13 C 4.279300 -0.872400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 8 10 -M V30 10 1 9 11 -M V30 11 1 9 12 -M V30 12 1 12 13 -M V30 13 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -423 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.615000 -1.828500 0.000000 0 -M V30 2 C -4.205500 -5.333500 0.000000 0 -M V30 3 C -12.007500 -6.247500 0.000000 0 -M V30 4 C 2.743000 -1.828500 0.000000 0 -M V30 5 C -3.962000 1.706500 0.000000 0 -M V30 6 C 9.356000 1.859000 0.000000 0 -M V30 7 C 4.967500 1.950500 0.000000 0 -M V30 8 C 11.581000 5.668500 0.000000 0 -M V30 9 C 9.234500 -5.577000 0.000000 0 -M V30 10 N 11.489500 -1.889500 0.000000 0 -M V30 11 N 4.937000 -5.607500 0.000000 0 -M V30 12 N -8.381000 -3.748500 0.000000 0 -M V30 13 N -8.167500 0.670500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 1 -M V30 2 2 13 5 -M V30 3 1 12 2 -M V30 4 1 4 1 -M V30 5 1 5 1 -M V30 6 2 6 7 -M V30 7 1 7 4 -M V30 8 1 8 6 -M V30 9 2 11 4 -M V30 10 2 10 9 -M V30 11 1 9 11 -M V30 12 1 3 12 -M V30 13 1 12 13 -M V30 14 1 10 6 -M V30 END BOND -M V30 END CTAB -M END -> -424 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 3.541700 -5.379200 0.000000 0 -M V30 2 N 2.854200 -6.587500 0.000000 0 -M V30 3 C 3.541700 -6.179200 0.000000 0 -M V30 4 C 2.162500 -5.379200 0.000000 0 -M V30 5 C 2.162500 -6.183300 0.000000 0 -M V30 6 N 4.112500 -4.816700 0.000000 0 -M V30 7 N 4.883300 -5.020800 0.000000 0 -M V30 8 C 5.441700 -4.445800 0.000000 0 -M V30 9 C 1.466700 -4.983300 0.000000 0 -M V30 10 C 1.433300 -6.583300 0.000000 0 -M V30 11 C 6.220800 -4.662500 0.000000 0 -M V30 12 C 0.779200 -5.379200 0.000000 0 -M V30 13 C 0.779200 -6.183300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 3 -M V30 2 1 3 1 -M V30 3 1 4 1 -M V30 4 1 5 4 -M V30 5 2 6 1 -M V30 6 1 7 6 -M V30 7 1 8 7 -M V30 8 2 9 4 -M V30 9 2 10 5 -M V30 10 1 11 8 -M V30 11 1 12 9 -M V30 12 2 13 12 -M V30 13 1 2 5 -M V30 14 1 10 13 -M V30 END BOND -M V30 END CTAB -M END -> -425 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.534500 0.375900 0.000000 0 -M V30 2 C -0.534500 1.482800 0.000000 0 -M V30 3 C -1.486200 -0.169000 0.000000 0 -M V30 4 N 0.410300 -0.169000 0.000000 0 CHG=1 -M V30 5 C -1.486200 2.031000 0.000000 0 -M V30 6 C 0.410300 2.031000 0.000000 0 -M V30 7 C -2.441400 0.375900 0.000000 0 -M V30 8 C 1.365500 0.375900 0.000000 0 -M V30 9 C -2.441400 1.482800 0.000000 0 -M V30 10 C 1.365500 1.482800 0.000000 0 -M V30 11 O -3.389700 -0.186200 0.000000 0 -M V30 12 C -3.389700 -1.282800 0.000000 0 -M V30 13 O -2.441400 -1.827600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 1 11 12 -M V30 12 2 12 13 -M V30 13 2 7 9 -M V30 14 1 8 10 -M V30 END BOND -M V30 END CTAB -M END -> -426 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.475900 1.044800 0.000000 0 -M V30 2 S -0.510300 1.582800 0.000000 0 -M V30 3 N -1.489700 -0.065500 0.000000 0 -M V30 4 N -2.431000 1.589700 0.000000 0 -M V30 5 C 0.434500 1.034500 0.000000 0 -M V30 6 C -2.444800 -0.613800 0.000000 0 -M V30 7 C -3.393100 1.044800 0.000000 0 -M V30 8 C 0.434500 -0.072400 0.000000 0 -M V30 9 C 1.396600 1.575900 0.000000 0 -M V30 10 C -3.406900 -0.058600 0.000000 0 -M V30 11 C 1.386200 -0.627600 0.000000 0 -M V30 12 C 2.351700 1.020700 0.000000 0 -M V30 13 C 2.348300 -0.082800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 2 5 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 8 11 -M V30 11 2 9 12 -M V30 12 2 11 13 -M V30 13 2 7 10 -M V30 14 1 12 13 -M V30 END BOND -M V30 END CTAB -M END -> -427 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -2.962100 -0.224100 0.000000 0 -M V30 2 C -1.755200 0.482800 0.000000 0 -M V30 3 C -2.962100 -1.634500 0.000000 0 -M V30 4 C -4.206900 0.482800 0.000000 0 -M V30 5 N -0.551700 -0.224100 0.000000 0 -M V30 6 C -1.796600 1.893100 0.000000 0 -M V30 7 N -1.755200 -2.341400 0.000000 0 -M V30 8 O -4.165500 -2.382800 0.000000 0 -M V30 9 C -4.206900 1.893100 0.000000 0 -M V30 10 C -0.551700 -1.634500 0.000000 0 -M V30 11 C -3.003400 2.600000 0.000000 0 -M V30 12 S 0.693100 -2.382800 0.000000 0 -M V30 13 C 1.896600 -1.675900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 3 8 -M V30 8 2 4 9 -M V30 9 1 5 10 -M V30 10 2 6 11 -M V30 11 1 10 12 -M V30 12 1 12 13 -M V30 13 2 7 10 -M V30 14 1 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -428 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 13 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 5.733300 -3.570900 0.000000 0 -M V30 2 C 5.012500 -3.983400 0.000000 0 -M V30 3 O 6.450000 -3.983400 0.000000 0 -M V30 4 C 4.295800 -3.570900 0.000000 0 -M V30 5 N 3.575000 -3.983400 0.000000 0 -M V30 6 C 7.162500 -3.566700 0.000000 0 -M V30 7 S 2.858300 -3.570800 0.000000 0 -M V30 8 C 2.148500 -3.152200 0.000000 0 -M V30 9 C 2.159600 -2.323500 0.000000 0 -M V30 10 C 1.447500 -1.899500 0.000000 0 -M V30 11 C 0.724200 -2.304200 0.000000 0 -M V30 12 C 0.713100 -3.133000 0.000000 0 -M V30 13 C 1.425200 -3.557000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 5 7 -M V30 2 1 7 8 -M V30 3 1 3 1 -M V30 4 1 4 2 -M V30 5 1 5 4 -M V30 6 1 3 6 -M V30 7 1 2 1 -M V30 8 2 8 13 -M V30 9 1 8 9 -M V30 10 2 9 10 -M V30 11 1 10 11 -M V30 12 2 11 12 -M V30 13 1 12 13 -M V30 END BOND -M V30 END CTAB -M END -> -429 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 Ti 0.110300 0.127600 0.000000 0 -M V30 2 O 1.200000 1.072400 0.000000 0 -M V30 3 O -1.051700 0.948300 0.000000 0 -M V30 4 O -0.789700 -0.948300 0.000000 0 -M V30 5 O 1.134500 -0.855200 0.000000 0 -M V30 6 C 0.941400 2.493100 0.000000 0 -M V30 7 C -2.362100 0.334500 0.000000 0 -M V30 8 C -0.286200 -2.306900 0.000000 0 -M V30 9 C 2.520700 -0.472400 0.000000 0 -M V30 10 C -2.472400 -1.079300 0.000000 0 -M V30 11 C -1.200000 -3.424100 0.000000 0 -M V30 12 C 1.106900 -2.548300 0.000000 0 -M V30 13 C 3.544800 -1.475900 0.000000 0 -M V30 14 C 2.882800 0.903400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 7 10 -M V30 10 1 8 11 -M V30 11 1 8 12 -M V30 12 1 9 13 -M V30 13 1 9 14 -M V30 END BOND -M V30 END CTAB -M END -> -430 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.823500 -3.500500 0.000000 0 -M V30 2 C 4.301500 -2.169500 0.000000 0 -M V30 3 C 14.471500 -6.520500 0.000000 0 -M V30 4 C 15.086500 -4.629000 0.000000 0 -M V30 5 C 3.236500 -5.446000 0.000000 0 -M V30 6 C 13.477500 -3.459500 0.000000 0 -M V30 7 C 8.498500 -5.345000 0.000000 0 -M V30 8 C 9.976500 -4.014000 0.000000 0 -M V30 9 C 5.542000 -8.006500 0.000000 0 -M V30 10 C 5.128500 -6.060500 0.000000 0 -M V30 11 C 8.911500 -7.290000 0.000000 0 -M V30 12 C 7.433500 -8.621000 0.000000 0 -M V30 13 N 11.868000 -4.628500 0.000000 0 -M V30 14 N 12.482500 -6.520500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 13 14 -M V30 2 2 3 14 -M V30 3 1 4 3 -M V30 4 1 6 13 -M V30 5 1 7 8 -M V30 6 1 8 13 -M V30 7 2 11 7 -M V30 8 1 12 11 -M V30 9 2 9 12 -M V30 10 1 5 10 -M V30 11 1 1 2 -M V30 12 2 4 6 -M V30 13 1 9 10 -M V30 14 2 1 5 -M V30 END BOND -M V30 END CTAB -M END -> -431 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.089700 -0.393100 0.000000 0 -M V30 2 C -0.931000 -1.020700 0.000000 0 -M V30 3 N 0.089700 0.858600 0.000000 0 -M V30 4 S 1.175900 -1.020700 0.000000 0 -M V30 5 C -2.006900 -0.393100 0.000000 0 -M V30 6 C -0.931000 -2.269000 0.000000 0 -M V30 7 C 2.175900 0.869000 0.000000 0 -M V30 8 C 2.165500 -0.393100 0.000000 0 -M V30 9 C -3.096600 -1.020700 0.000000 0 -M V30 10 C -2.006900 -2.896600 0.000000 0 -M V30 11 C 3.262100 1.496600 0.000000 0 -M V30 12 C -3.096600 -2.269000 0.000000 0 -M V30 13 C 4.344800 0.869000 0.000000 0 -M V30 14 C -4.179300 -2.896600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 2 9 12 -M V30 12 1 11 13 -M V30 13 1 12 14 -M V30 14 2 7 8 -M V30 15 1 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -432 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.337900 -0.820700 0.000000 0 -M V30 2 C 0.689700 -1.572400 0.000000 0 -M V30 3 C -0.479300 0.458600 0.000000 0 -M V30 4 N -1.534500 -1.348300 0.000000 0 -M V30 5 N 1.886200 -1.041400 0.000000 0 -M V30 6 C -1.758600 0.710300 0.000000 0 -M V30 7 C -2.396600 -0.403400 0.000000 0 -M V30 8 C 2.027600 0.265500 0.000000 0 -M V30 9 C 2.944800 -1.793100 0.000000 0 -M V30 10 C -2.313800 1.906900 0.000000 0 -M V30 11 C 3.193100 0.793100 0.000000 0 -M V30 12 C 4.113800 -1.265500 0.000000 0 -M V30 13 O -1.589700 2.965500 0.000000 0 -M V30 14 O 4.251700 0.041400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 8 11 -M V30 11 1 9 12 -M V30 12 2 10 13 -M V30 13 1 11 14 -M V30 14 2 6 7 -M V30 15 1 12 14 -M V30 END BOND -M V30 END CTAB -M END -> -433 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.672400 0.006900 0.000000 0 -M V30 2 C -2.527600 0.489700 0.000000 0 -M V30 3 N -0.817200 0.510300 0.000000 0 -M V30 4 C -1.672400 -1.000000 0.000000 0 -M V30 5 C -3.379300 0.006900 0.000000 0 -M V30 6 C 0.041400 0.006900 0.000000 0 -M V30 7 C -2.527600 -1.479300 0.000000 0 -M V30 8 C -3.379300 -1.000000 0.000000 0 -M V30 9 O -4.217200 0.510300 0.000000 0 -M V30 10 C 0.903400 0.510300 0.000000 0 -M V30 11 O 0.041400 -0.975900 0.000000 0 -M V30 12 C -4.196600 1.479300 0.000000 0 -M V30 13 S 1.755200 0.031000 0.000000 0 -M V30 14 C 2.582800 0.510300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 2 5 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 2 6 11 -M V30 11 1 9 12 -M V30 12 1 10 13 -M V30 13 1 13 14 -M V30 14 1 7 8 -M V30 END BOND -M V30 END CTAB -M END -> -434 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.110300 0.010300 0.000000 0 -M V30 2 C -1.534500 1.113800 0.000000 0 -M V30 3 C -1.420700 -1.006900 0.000000 0 -M V30 4 C -3.403400 -0.013800 0.000000 0 -M V30 5 N -0.241400 1.165500 0.000000 0 -M V30 6 C -2.210300 2.220700 0.000000 0 -M V30 7 C -0.155200 -1.017200 0.000000 0 -M V30 8 C 0.437900 0.110300 0.000000 0 -M V30 9 C -3.489700 2.182800 0.000000 0 -M V30 10 C 1.717200 0.110300 0.000000 0 -M V30 11 C 2.334500 1.189700 0.000000 0 -M V30 12 C 2.396600 -0.979300 0.000000 0 -M V30 13 C 3.586200 1.227600 0.000000 0 -M V30 14 C 3.637900 -0.958600 0.000000 0 -M V30 15 N 4.255200 0.186200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 5 8 -M V30 8 2 6 9 -M V30 9 1 8 10 -M V30 10 1 10 11 -M V30 11 2 10 12 -M V30 12 2 11 13 -M V30 13 1 12 14 -M V30 14 1 13 15 -M V30 15 2 7 8 -M V30 16 2 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -435 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.240000 -2.060000 0.000000 0 -M V30 2 C 0.610000 -1.550000 0.000000 0 -M V30 3 C -2.840000 -0.550000 0.000000 0 -M V30 4 N -1.980000 -0.060000 0.000000 0 -M V30 5 C -1.110000 -1.550000 0.000000 0 -M V30 6 O -3.700000 -0.060000 0.000000 0 -M V30 7 O 0.610000 -0.530000 0.000000 0 -M V30 8 N -1.110000 -3.570000 0.000000 0 -M V30 9 C -1.110000 -0.550000 0.000000 0 -M V30 10 C -4.580000 -0.560000 0.000000 0 -M V30 11 C -0.240000 -3.060000 0.000000 0 -M V30 12 O 1.440000 -2.060000 0.000000 0 -M V30 13 C -1.980000 -3.060000 0.000000 0 -M V30 14 C -1.980000 -2.060000 0.000000 0 -M V30 15 C -5.430000 -0.040000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 4 -M V30 3 1 4 9 -M V30 4 2 5 1 -M V30 5 1 6 3 -M V30 6 2 7 2 -M V30 7 2 8 11 -M V30 8 1 9 5 -M V30 9 1 10 6 -M V30 10 1 11 1 -M V30 11 1 12 2 -M V30 12 2 13 14 -M V30 13 1 14 5 -M V30 14 1 15 10 -M V30 15 1 13 8 -M V30 END BOND -M V30 END CTAB -M END -> -436 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 8.304000 -4.080500 0.000000 0 -M V30 2 C 8.301000 -5.885500 0.000000 0 -M V30 3 C 9.860500 -6.786000 0.000000 0 -M V30 4 C 9.856500 -3.180500 0.000000 0 -M V30 5 C 11.408000 -4.081000 0.000000 0 -M V30 6 C 11.424500 -5.890000 0.000000 0 -M V30 7 N 13.150000 -6.433500 0.000000 0 -M V30 8 C 14.200500 -4.960000 0.000000 0 -M V30 9 C 13.124000 -3.506500 0.000000 0 -M V30 10 C 13.721500 -8.140000 0.000000 0 -M V30 11 C 12.529500 -9.488000 0.000000 0 -M V30 12 Br 6.745000 -3.181500 0.000000 0 -M V30 13 O 10.766000 -9.129500 0.000000 0 -M V30 14 C 9.574000 -10.478000 0.000000 0 -M V30 15 C 7.810500 -10.119500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 7 8 -M V30 2 1 8 9 -M V30 3 1 9 5 -M V30 4 1 4 1 -M V30 5 1 5 6 -M V30 6 1 7 10 -M V30 7 1 10 11 -M V30 8 1 2 3 -M V30 9 1 1 12 -M V30 10 2 3 6 -M V30 11 1 11 13 -M V30 12 2 1 2 -M V30 13 2 5 4 -M V30 14 1 13 14 -M V30 15 1 6 7 -M V30 16 1 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -437 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.666700 -1.550000 0.000000 0 -M V30 2 C 1.454200 -5.237500 0.000000 0 -M V30 3 C 1.800000 -5.987500 0.000000 0 -M V30 4 C 1.162500 -2.216700 0.000000 0 -M V30 5 N 2.787500 -5.087500 0.000000 0 -M V30 6 N 2.616700 -5.891700 0.000000 0 -M V30 7 N 0.679200 -2.887500 0.000000 0 -M V30 8 C 2.066700 -4.679200 0.000000 0 -M V30 9 C -0.112500 -1.812500 0.000000 0 -M V30 10 C -0.108300 -2.637500 0.000000 0 -M V30 11 N 0.650000 -5.066700 0.000000 0 -M V30 12 C 0.391700 -4.287500 0.000000 0 -M V30 13 C 0.937500 -3.666700 0.000000 0 -M V30 14 C 3.166700 -6.504200 0.000000 0 -M V30 15 C 2.916700 -7.291700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 11 -M V30 2 1 3 2 -M V30 3 1 4 1 -M V30 4 1 5 8 -M V30 5 1 6 3 -M V30 6 1 7 4 -M V30 7 2 8 2 -M V30 8 1 9 1 -M V30 9 1 10 9 -M V30 10 1 11 12 -M V30 11 1 12 13 -M V30 12 1 13 7 -M V30 13 1 14 6 -M V30 14 2 15 14 -M V30 15 1 10 7 -M V30 16 1 6 5 -M V30 END BOND -M V30 END CTAB -M END -> -438 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.437900 1.496600 0.000000 0 -M V30 2 C -1.200000 0.779300 0.000000 0 -M V30 3 F -2.065500 2.886200 0.000000 0 -M V30 4 F -3.786200 1.989700 0.000000 0 -M V30 5 F -3.041400 0.193100 0.000000 0 -M V30 6 C 0.034500 1.496600 0.000000 0 -M V30 7 C -1.200000 -0.641400 0.000000 0 -M V30 8 C 1.279300 0.779300 0.000000 0 -M V30 9 C 0.034500 -1.358600 0.000000 0 -M V30 10 C 2.517200 1.496600 0.000000 0 -M V30 11 C 1.279300 -0.641400 0.000000 0 -M V30 12 N 0.034500 -2.789700 0.000000 0 -M V30 13 F 2.144800 2.886200 0.000000 0 -M V30 14 F 3.120700 0.193100 0.000000 0 -M V30 15 F 3.869000 1.989700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 2 6 -M V30 6 2 2 7 -M V30 7 2 6 8 -M V30 8 1 7 9 -M V30 9 1 8 10 -M V30 10 1 8 11 -M V30 11 1 9 12 -M V30 12 1 10 13 -M V30 13 1 10 14 -M V30 14 1 10 15 -M V30 15 2 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -439 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.260000 -0.080000 0.000000 0 -M V30 2 C 0.420000 0.320000 0.000000 0 -M V30 3 C -0.930000 0.320000 0.000000 0 -M V30 4 O 0.420000 1.090000 0.000000 0 -M V30 5 C -1.600000 -0.080000 0.000000 0 -M V30 6 C -2.270000 0.320000 0.000000 0 -M V30 7 O 1.090000 -0.080000 0.000000 0 -M V30 8 C -2.940000 -0.080000 0.000000 0 -M V30 9 Br -3.610000 0.290000 0.000000 0 -M V30 10 C -0.540000 -0.790000 0.000000 0 -M V30 11 C -2.270000 -1.240000 0.000000 0 -M V30 12 C -1.600000 -0.850000 0.000000 0 -M V30 13 C -2.940000 -0.850000 0.000000 0 -M V30 14 C 1.770000 0.320000 0.000000 0 -M V30 15 C 2.440000 -0.080000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 2 4 2 -M V30 4 1 5 3 -M V30 5 1 6 5 -M V30 6 1 7 2 -M V30 7 2 8 6 -M V30 8 1 9 8 -M V30 9 1 10 1 -M V30 10 1 11 12 -M V30 11 2 12 5 -M V30 12 2 13 11 -M V30 13 1 14 7 -M V30 14 1 15 14 -M V30 15 1 13 8 -M V30 END BOND -M V30 END CTAB -M END -> -440 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.017200 -0.831000 0.000000 0 -M V30 2 C 1.269000 -0.113800 0.000000 0 -M V30 3 C -1.231000 -0.113800 0.000000 0 -M V30 4 C 1.269000 1.365500 0.000000 0 -M V30 5 C 2.503400 -0.851700 0.000000 0 -M V30 6 C -1.231000 1.365500 0.000000 0 -M V30 7 C -2.465500 -0.851700 0.000000 0 -M V30 8 C 0.017200 2.086200 0.000000 0 -M V30 9 O 2.503400 2.106900 0.000000 0 -M V30 10 C 3.279300 -2.158600 0.000000 0 -M V30 11 C 2.048300 -2.158600 0.000000 0 -M V30 12 C 3.675900 -0.206900 0.000000 0 -M V30 13 C -3.675900 -0.189700 0.000000 0 -M V30 14 C -1.800000 -2.082800 0.000000 0 -M V30 15 C -3.069000 -2.120700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 2 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 4 9 -M V30 9 1 5 10 -M V30 10 1 5 11 -M V30 11 1 5 12 -M V30 12 1 7 13 -M V30 13 1 7 14 -M V30 14 1 7 15 -M V30 15 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -441 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.265500 -0.031000 0.000000 0 -M V30 2 N 0.124100 0.248300 0.000000 0 -M V30 3 C 2.072400 0.813800 0.000000 0 -M V30 4 C 1.589700 -1.158600 0.000000 0 -M V30 5 C -0.686200 -0.600000 0.000000 0 -M V30 6 C 3.213800 0.534500 0.000000 0 -M V30 7 C 1.748300 1.941400 0.000000 0 -M V30 8 C 2.731000 -1.437900 0.000000 0 -M V30 9 C -1.824100 -0.320700 0.000000 0 -M V30 10 O -0.358600 -1.724100 0.000000 0 -M V30 11 C 3.541400 -0.593100 0.000000 0 -M V30 12 C -2.720700 -1.075900 0.000000 0 -M V30 13 O -2.269000 0.765500 0.000000 0 -M V30 14 C -3.717200 -0.458600 0.000000 0 -M V30 15 C -3.437900 0.679300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 5 10 -M V30 10 1 6 11 -M V30 11 2 9 12 -M V30 12 1 9 13 -M V30 13 1 12 14 -M V30 14 1 13 15 -M V30 15 2 8 11 -M V30 16 2 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -442 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.800000 2.303400 0.000000 0 -M V30 2 C 3.082800 2.496600 0.000000 0 -M V30 3 C 2.479300 2.462100 0.000000 0 -M V30 4 C 3.082800 2.855200 0.000000 0 -M V30 5 N 2.165500 2.303400 0.000000 0 -M V30 6 C 1.869000 2.496600 0.000000 0 -M V30 7 C 1.548300 2.324100 0.000000 0 -M V30 8 N 1.258600 2.506900 0.000000 0 -M V30 9 C 0.917200 2.331000 0.000000 0 -M V30 10 C 0.606900 2.524100 0.000000 0 -M V30 11 C 0.610300 2.879300 0.000000 0 -M V30 12 C 0.906900 3.100000 0.000000 0 -M V30 13 N 0.324100 3.100000 0.000000 0 -M V30 14 N 0.800000 3.441400 0.000000 0 -M V30 15 C 0.427600 3.441400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 6 5 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 9 8 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 2 11 12 -M V30 12 1 11 13 -M V30 13 1 12 14 -M V30 14 2 13 15 -M V30 15 1 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -443 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 P 0.000000 0.341400 0.000000 0 -M V30 2 C -0.924100 1.241400 0.000000 0 -M V30 3 C 1.234500 0.696600 0.000000 0 -M V30 4 C -0.310300 -0.896600 0.000000 0 -M V30 5 C -2.158600 0.896600 0.000000 0 -M V30 6 C -0.603400 2.503400 0.000000 0 -M V30 7 C 1.551700 1.948300 0.000000 0 -M V30 8 C -1.551700 -1.241400 0.000000 0 -M V30 9 C 0.603400 -1.796600 0.000000 0 -M V30 10 C -3.089700 1.796600 0.000000 0 -M V30 11 C -1.527600 3.403400 0.000000 0 -M V30 12 C -1.872400 -2.503400 0.000000 0 -M V30 13 C 0.282800 -3.048300 0.000000 0 -M V30 14 C -2.779300 3.048300 0.000000 0 -M V30 15 C -0.948300 -3.403400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 1 4 9 -M V30 9 2 5 10 -M V30 10 1 6 11 -M V30 11 1 8 12 -M V30 12 2 9 13 -M V30 13 1 10 14 -M V30 14 2 12 15 -M V30 15 2 11 14 -M V30 16 1 13 15 -M V30 END BOND -M V30 END CTAB -M END -> -444 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 7.745900 -4.654100 0.000000 0 -M V30 2 C 5.029700 -3.394500 0.000000 0 -M V30 3 C 5.577200 -2.766600 0.000000 0 -M V30 4 S 4.215500 -3.237100 0.000000 0 -M V30 5 C 5.300000 -4.179900 0.000000 0 -M V30 6 C 6.391400 -2.928200 0.000000 0 -M V30 7 C 3.794000 -3.951500 0.000000 0 -M V30 8 C 6.110800 -4.337300 0.000000 0 -M V30 9 C 6.661600 -3.712900 0.000000 0 -M V30 10 C 2.979700 -3.789900 0.000000 0 -M V30 11 C 7.475900 -3.874600 0.000000 0 -M V30 12 C 2.637900 -3.069200 0.000000 0 -M V30 13 O 2.378000 -4.350400 0.000000 0 -M V30 14 C 1.814900 -3.166200 0.000000 0 -M V30 15 C 1.663600 -3.964700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 2 3 -M V30 2 1 2 4 -M V30 3 1 2 5 -M V30 4 1 3 6 -M V30 5 1 4 7 -M V30 6 2 5 8 -M V30 7 2 6 9 -M V30 8 1 7 10 -M V30 9 1 9 11 -M V30 10 2 10 12 -M V30 11 1 10 13 -M V30 12 1 11 1 -M V30 13 1 12 14 -M V30 14 1 13 15 -M V30 15 1 8 9 -M V30 16 2 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -445 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.086200 0.000000 0.000000 0 -M V30 2 C -0.086200 1.220700 0.000000 0 -M V30 3 C -1.144800 -0.606900 0.000000 0 -M V30 4 C 0.969000 -0.606900 0.000000 0 -M V30 5 C -1.144800 1.831000 0.000000 0 -M V30 6 C 0.969000 1.831000 0.000000 0 -M V30 7 C -2.200000 0.000000 0.000000 0 -M V30 8 C 2.024100 0.000000 0.000000 0 -M V30 9 C -2.200000 1.220700 0.000000 0 -M V30 10 C 2.024100 1.220700 0.000000 0 -M V30 11 S -3.255200 -0.606900 0.000000 0 -M V30 12 S 3.079300 -0.606900 0.000000 0 -M V30 13 Cl -2.555200 -1.606900 0.000000 0 -M V30 14 O 2.379300 -1.606900 0.000000 0 -M V30 15 Cl 4.013800 -1.393100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 1 8 12 -M V30 12 1 11 13 -M V30 13 2 12 14 -M V30 14 1 12 15 -M V30 15 2 7 9 -M V30 16 1 8 10 -M V30 END BOND -M V30 END CTAB -M END -> -446 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.341400 -0.269000 0.000000 0 -M V30 2 O 0.575900 0.262100 0.000000 0 -M V30 3 O -1.265500 0.258600 0.000000 0 -M V30 4 C -0.341400 -1.327600 0.000000 0 -M V30 5 C 0.572400 1.320700 0.000000 0 -M V30 6 C -2.175900 -0.275900 0.000000 0 -M V30 7 C -1.251700 -1.865500 0.000000 0 -M V30 8 C 1.444800 1.937900 0.000000 0 -M V30 9 C -0.293100 1.924100 0.000000 0 -M V30 10 C -2.169000 -1.344800 0.000000 0 -M V30 11 C -3.086200 0.248300 0.000000 0 -M V30 12 C 2.344800 1.331000 0.000000 0 -M V30 13 O 1.434500 2.996600 0.000000 0 -M V30 14 C -1.120700 1.279300 0.000000 0 -M V30 15 C 3.175900 1.955200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 5 2 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 6 11 -M V30 11 1 8 12 -M V30 12 1 8 13 -M V30 13 1 9 14 -M V30 14 1 12 15 -M V30 15 1 7 10 -M V30 END BOND -M V30 END CTAB -M END -> -447 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.289700 -0.372400 0.000000 0 -M V30 2 C -0.289700 1.058600 0.000000 0 -M V30 3 N 0.951700 -1.131000 0.000000 0 -M V30 4 C -1.624100 -1.131000 0.000000 0 -M V30 5 C 0.951700 1.824100 0.000000 0 -M V30 6 C -1.624100 1.824100 0.000000 0 -M V30 7 C 2.186200 -0.372400 0.000000 0 -M V30 8 C 0.951700 -2.758600 0.000000 0 -M V30 9 C -2.865500 -0.372400 0.000000 0 -M V30 10 C -1.624100 -2.665500 0.000000 0 -M V30 11 C 2.186200 1.058600 0.000000 0 -M V30 12 O 0.951700 3.169000 0.000000 0 -M V30 13 C -2.865500 1.058600 0.000000 0 -M V30 14 C -0.289700 -3.334500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 1 4 10 -M V30 10 1 5 11 -M V30 11 2 5 12 -M V30 12 1 6 13 -M V30 13 1 8 14 -M V30 14 1 7 11 -M V30 15 2 9 13 -M V30 16 1 10 14 -M V30 END BOND -M V30 END CTAB -M END -> -448 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.479300 1.272400 0.000000 0 -M V30 2 C -0.641400 1.272400 0.000000 0 -M V30 3 C 0.879300 0.224100 0.000000 0 -M V30 4 N 1.113800 2.203400 0.000000 0 CHG=1 -M V30 5 N -0.982800 0.165500 0.000000 0 -M V30 6 N -1.289700 2.203400 0.000000 0 CHG=1 -M V30 7 N -0.041400 -0.482800 0.000000 0 -M V30 8 O 0.689700 3.265500 0.000000 0 -M V30 9 O -2.434500 2.179300 0.000000 0 -M V30 10 O -0.900000 3.289700 0.000000 0 CHG=-1 -M V30 11 C -0.027600 -1.617200 0.000000 0 -M V30 12 C -0.982800 -2.193100 0.000000 0 -M V30 13 C -1.962100 -1.637900 0.000000 0 -M V30 14 O -1.055200 -3.382800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 2 6 9 -M V30 9 1 6 10 -M V30 10 1 7 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 2 12 14 -M V30 14 1 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -449 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.255200 0.024100 0.000000 0 -M V30 2 C -1.910300 1.127600 0.000000 0 -M V30 3 O -1.893100 -1.144800 0.000000 0 -M V30 4 N 0.051700 0.024100 0.000000 0 -M V30 5 C -3.220700 1.127600 0.000000 0 -M V30 6 C -1.255200 2.300000 0.000000 0 -M V30 7 C -3.220700 -1.144800 0.000000 0 -M V30 8 C 0.710300 -1.110300 0.000000 0 -M V30 9 C -3.875900 0.024100 0.000000 0 -M V30 10 O -3.910300 2.300000 0.000000 0 -M V30 11 C -3.875900 -2.317200 0.000000 0 -M V30 12 C 2.017200 -1.110300 0.000000 0 -M V30 13 C 2.672400 -2.217200 0.000000 0 -M V30 14 O 3.982800 -2.217200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 5 10 -M V30 10 1 7 11 -M V30 11 1 8 12 -M V30 12 1 12 13 -M V30 13 2 13 14 -M V30 14 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -450 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.151700 0.744800 0.000000 0 -M V30 2 C 1.451700 -0.648300 0.000000 0 -M V30 3 N -0.186200 1.203400 0.000000 0 -M V30 4 C 2.231000 1.696600 0.000000 0 -M V30 5 C 0.369000 -1.600000 0.000000 0 -M V30 6 C 2.810300 -1.106900 0.000000 0 -M V30 7 C -1.269000 0.241400 0.000000 0 -M V30 8 C 3.600000 1.237900 0.000000 0 -M V30 9 O 1.951700 3.100000 0.000000 0 -M V30 10 C -0.979300 -1.144800 0.000000 0 -M V30 11 C 3.893100 -0.155200 0.000000 0 -M V30 12 C -2.627600 0.700000 0.000000 0 -M V30 13 O -2.917200 2.113800 0.000000 0 -M V30 14 O -3.706900 -0.227600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 1 4 9 -M V30 9 1 5 10 -M V30 10 2 6 11 -M V30 11 1 7 12 -M V30 12 1 12 13 -M V30 13 2 12 14 -M V30 14 2 7 10 -M V30 15 1 8 11 -M V30 END BOND -M V30 END CTAB -M END -> -451 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.320900 -2.109400 0.000000 0 -M V30 2 C 5.102500 -2.379000 0.000000 0 -M V30 3 C 5.717200 -1.840400 0.000000 0 -M V30 4 C 5.258200 -3.180500 0.000000 0 -M V30 5 C 6.500900 -2.109400 0.000000 0 -M V30 6 C 6.029500 -3.456400 0.000000 0 -M V30 7 C 7.131500 -1.570700 0.000000 0 -M V30 8 C 6.660100 -2.916900 0.000000 0 -M V30 9 C 6.186000 -4.274200 0.000000 0 -M V30 10 F 6.774000 -0.824100 0.000000 0 -M V30 11 F 7.615300 -2.244500 0.000000 0 -M V30 12 C 6.974700 -4.544900 0.000000 0 -M V30 13 C 7.131200 -5.362800 0.000000 0 -M V30 14 O 6.501100 -5.907200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 3 -M V30 2 2 2 4 -M V30 3 2 3 5 -M V30 4 1 4 6 -M V30 5 1 5 7 -M V30 6 1 5 8 -M V30 7 1 6 9 -M V30 8 1 7 10 -M V30 9 1 7 11 -M V30 10 2 6 8 -M V30 11 1 9 12 -M V30 12 1 1 2 -M V30 13 1 12 13 -M V30 14 2 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -452 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.603100 0.393200 0.000000 0 -M V30 2 N -1.353300 -0.509000 0.000000 0 -M V30 3 N -2.118900 1.866400 0.000000 0 -M V30 4 C -4.076400 -0.070400 0.000000 0 -M V30 5 C -0.107600 0.393200 0.000000 0 -M V30 6 C -1.353300 -2.044400 0.000000 0 -M V30 7 N -0.583500 1.866400 0.000000 0 -M V30 8 C -5.214400 0.951800 0.000000 0 -M V30 9 C -4.155000 1.465000 0.000000 0 -M V30 10 S 1.353300 -0.070400 0.000000 0 -M V30 11 C 2.503800 0.951800 0.000000 0 -M V30 12 C 3.964600 0.467600 0.000000 0 -M V30 13 N 5.102700 1.498100 0.000000 0 -M V30 14 O 4.275000 -1.030500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 4 9 -M V30 9 1 5 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 2 12 14 -M V30 14 2 5 7 -M V30 END BOND -M V30 END CTAB -M END -> -453 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.534500 -0.603400 0.000000 0 -M V30 2 C -0.606900 -1.293100 0.000000 0 -M V30 3 C 0.534500 0.772400 0.000000 0 -M V30 4 C 1.706900 -1.293100 0.000000 0 -M V30 5 C -0.606900 -2.624100 0.000000 0 -M V30 6 C -1.903400 -0.851700 0.000000 0 -M V30 7 C 1.706900 1.413800 0.000000 0 -M V30 8 C 1.706900 -2.624100 0.000000 0 -M V30 9 O 0.534500 -3.306900 0.000000 0 -M V30 10 N -1.903400 -3.058600 0.000000 0 -M V30 11 N -2.662100 -1.934500 0.000000 0 -M V30 12 C 1.706900 2.786200 0.000000 0 -M V30 13 C -0.606900 2.786200 0.000000 0 -M V30 14 N 0.534500 3.434500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 2 3 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 2 5 10 -M V30 10 1 6 11 -M V30 11 1 7 12 -M V30 12 2 12 14 -M V30 13 1 8 9 -M V30 14 1 10 11 -M V30 15 1 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -454 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.434500 -0.106900 0.000000 0 -M V30 2 C -1.217200 -1.324100 0.000000 0 -M V30 3 C 0.979300 -0.182800 0.000000 0 -M V30 4 N -1.086200 1.155200 0.000000 0 -M V30 5 C -0.555200 -2.593100 0.000000 0 -M V30 6 C -2.655200 -1.248300 0.000000 0 -M V30 7 C 1.631000 -1.462100 0.000000 0 -M V30 8 N 1.758600 1.006900 0.000000 0 CHG=1 -M V30 9 C -2.524100 1.220700 0.000000 0 -M V30 10 C 0.858600 -2.665500 0.000000 0 -M V30 11 C -3.306900 0.031000 0.000000 0 -M V30 12 C 3.079300 -1.537900 0.000000 0 -M V30 13 O 3.203400 0.941400 0.000000 0 -M V30 14 O 1.100000 2.282800 0.000000 0 CHG=-1 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 2 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 2 5 10 -M V30 10 1 6 11 -M V30 11 1 7 12 -M V30 12 2 8 13 -M V30 13 1 8 14 -M V30 14 1 7 10 -M V30 15 2 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -455 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.613800 -0.975900 0.000000 0 -M V30 2 S 1.600000 -0.069000 0.000000 0 -M V30 3 C 0.872400 -1.393100 0.000000 0 -M V30 4 C 2.351700 -1.437900 0.000000 0 -M V30 5 O 1.600000 0.800000 0.000000 0 -M V30 6 C 0.872400 -2.317200 0.000000 0 -M V30 7 C 2.362100 -2.324100 0.000000 0 -M V30 8 C 0.872400 1.237900 0.000000 0 -M V30 9 C 1.613800 -2.755200 0.000000 0 -M V30 10 C 0.862100 2.162100 0.000000 0 -M V30 11 N 0.124100 2.631000 0.000000 0 -M V30 12 C 1.634500 2.579300 0.000000 0 -M V30 13 C -0.648300 2.237900 0.000000 0 -M V30 14 O 2.386200 2.131000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 8 10 -M V30 10 1 10 11 -M V30 11 1 10 12 -M V30 12 1 11 13 -M V30 13 1 12 14 -M V30 14 2 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -456 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.313800 -0.286200 0.000000 0 -M V30 2 S -0.313800 0.655200 0.000000 0 -M V30 3 C -1.137900 -0.758600 0.000000 0 -M V30 4 C 0.496600 -0.758600 0.000000 0 -M V30 5 N -0.313800 1.596600 0.000000 0 -M V30 6 O -1.258600 0.655200 0.000000 0 -M V30 7 O 0.627600 0.655200 0.000000 0 -M V30 8 C -1.137900 -1.710300 0.000000 0 -M V30 9 C 0.496600 -1.710300 0.000000 0 -M V30 10 C 0.496600 2.069000 0.000000 0 -M V30 11 C -0.313800 -2.179300 0.000000 0 -M V30 12 C 0.496600 3.010300 0.000000 0 -M V30 13 O 1.310300 3.482800 0.000000 0 -M V30 14 O -0.327600 3.482800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 2 2 7 -M V30 7 1 3 8 -M V30 8 2 4 9 -M V30 9 1 5 10 -M V30 10 2 8 11 -M V30 11 1 10 12 -M V30 12 1 12 13 -M V30 13 2 12 14 -M V30 14 1 9 11 -M V30 END BOND -M V30 END CTAB -M END -> -457 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.669000 1.272400 0.000000 0 -M V30 2 C -0.351700 1.272400 0.000000 0 -M V30 3 C -2.337900 2.406900 0.000000 0 -M V30 4 C -2.337900 0.144800 0.000000 0 -M V30 5 C 0.303400 0.144800 0.000000 0 -M V30 6 C -3.675900 2.406900 0.000000 0 -M V30 7 C -3.675900 0.144800 0.000000 0 -M V30 8 C 1.624100 0.144800 0.000000 0 -M V30 9 C -4.344800 1.272400 0.000000 0 -M V30 10 N 2.293100 -1.010300 0.000000 0 -M V30 11 C 3.610300 -1.010300 0.000000 0 -M V30 12 C 4.265500 0.131000 0.000000 0 -M V30 13 O 4.248300 -2.165500 0.000000 0 -M V30 14 Cl 3.572400 1.289700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 2 4 7 -M V30 7 1 5 8 -M V30 8 2 6 9 -M V30 9 1 8 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 2 11 13 -M V30 13 1 12 14 -M V30 14 1 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -458 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 13 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.024100 -0.034500 0.000000 0 -M V30 2 C 1.010300 0.658600 0.000000 0 -M V30 3 C -0.986200 0.765500 0.000000 0 -M V30 4 C -0.927600 -0.924100 0.000000 0 -M V30 5 C 0.762100 -1.013800 0.000000 0 -M V30 6 O 2.155200 0.110300 0.000000 0 -M V30 7 O 0.910300 1.927600 0.000000 0 -M V30 8 O -2.179300 0.348300 0.000000 0 -M V30 9 O -0.755200 2.010300 0.000000 0 -M V30 10 C -2.155200 -0.586200 0.000000 0 -M V30 11 C -0.613800 -2.158600 0.000000 0 -M V30 12 C 3.200000 0.824100 0.000000 0 -M V30 13 C -3.141400 1.179300 0.000000 0 -M V30 14 C -4.344800 0.751700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 2 6 -M V30 6 2 2 7 -M V30 7 1 3 8 -M V30 8 2 3 9 -M V30 9 1 4 10 -M V30 10 1 4 11 -M V30 11 1 6 12 -M V30 12 1 8 13 -M V30 13 1 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -459 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.537900 -0.462100 0.000000 0 -M V30 2 C -0.672400 -1.137900 0.000000 0 -M V30 3 C 1.744800 -1.137900 0.000000 0 -M V30 4 C 0.537900 0.972400 0.000000 0 -M V30 5 C -1.886200 -0.462100 0.000000 0 -M V30 6 C -0.672400 -2.579300 0.000000 0 -M V30 7 C 2.996600 -0.462100 0.000000 0 -M V30 8 C 1.744800 1.658600 0.000000 0 -M V30 9 C -3.093100 -1.137900 0.000000 0 -M V30 10 C -1.886200 -3.258600 0.000000 0 -M V30 11 C 2.996600 0.972400 0.000000 0 -M V30 12 C -3.093100 -2.579300 0.000000 0 -M V30 13 C 4.241400 1.696600 0.000000 0 -M V30 14 C -4.344800 -3.296600 0.000000 0 -M V30 15 O 4.241400 3.131000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 2 5 9 -M V30 9 1 6 10 -M V30 10 1 7 11 -M V30 11 1 9 12 -M V30 12 1 11 13 -M V30 13 1 12 14 -M V30 14 2 13 15 -M V30 15 2 8 11 -M V30 16 2 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -460 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -2.758300 2.129200 0.000000 0 -M V30 2 C -3.241700 1.779200 0.000000 0 -M V30 3 C -2.187500 1.945800 0.000000 0 -M V30 4 O -3.729200 2.129200 0.000000 0 -M V30 5 C -3.541700 2.700000 0.000000 0 -M V30 6 C -2.941700 2.700000 0.000000 0 -M V30 7 O -2.029200 1.366700 0.000000 0 -M V30 8 C -1.762500 2.370800 0.000000 0 -M V30 9 C -3.241700 1.179200 0.000000 0 -M V30 10 C -1.183300 2.216700 0.000000 0 -M V30 11 C -1.920800 2.945800 0.000000 0 -M V30 12 C -3.762500 0.879200 0.000000 0 -M V30 13 C -1.500000 3.375000 0.000000 0 -M V30 14 C -0.762500 2.637500 0.000000 0 -M V30 15 C -0.916700 3.220800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 2 -M V30 4 1 5 6 -M V30 5 1 6 1 -M V30 6 2 7 3 -M V30 7 1 8 3 -M V30 8 1 9 2 -M V30 9 2 10 8 -M V30 10 1 11 8 -M V30 11 1 12 9 -M V30 12 2 13 11 -M V30 13 1 14 10 -M V30 14 1 15 13 -M V30 15 1 5 4 -M V30 16 2 15 14 -M V30 END BOND -M V30 END CTAB -M END -> -461 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -3.195800 -22.466700 0.000000 0 -M V30 2 N -2.483300 -22.054199 0.000000 0 -M V30 3 O -3.908300 -22.049999 0.000000 0 -M V30 4 N -0.958300 -21.362499 0.000000 0 -M V30 5 C 0.470800 -21.366699 0.000000 0 -M V30 6 O -3.200000 -23.291700 0.000000 0 -M V30 7 C -2.337500 -21.337500 0.000000 0 -M V30 8 C -4.625000 -22.454201 0.000000 0 -M V30 9 C -0.241700 -20.950001 0.000000 0 -M V30 10 C -1.637500 -21.012501 0.000000 0 -M V30 11 C -1.283300 -22.529200 0.000000 0 -M V30 12 C -2.033300 -22.525000 0.000000 0 -M V30 13 C -0.837500 -22.083300 0.000000 0 -M V30 14 C -5.345800 -22.758301 0.000000 0 -M V30 15 C -5.320800 -21.979200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 10 -M V30 4 1 5 9 -M V30 5 2 6 1 -M V30 6 1 7 2 -M V30 7 1 8 3 -M V30 8 1 9 4 -M V30 9 1 10 7 -M V30 10 1 11 12 -M V30 11 1 12 2 -M V30 12 1 13 11 -M V30 13 1 14 8 -M V30 14 1 15 8 -M V30 15 1 4 13 -M V30 END BOND -M V30 END CTAB -M END -> -462 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.055200 0.655200 0.000000 0 -M V30 2 C -0.048300 -0.589700 0.000000 0 -M V30 3 C 1.013800 1.279300 0.000000 0 -M V30 4 C -1.124100 1.272400 0.000000 0 -M V30 5 C -1.124100 -1.206900 0.000000 0 -M V30 6 O 1.024100 -1.206900 0.000000 0 -M V30 7 C 2.093100 0.662100 0.000000 0 -M V30 8 C -2.203400 0.655200 0.000000 0 -M V30 9 C -2.203400 -0.589700 0.000000 0 -M V30 10 C 2.106900 -0.589700 0.000000 0 -M V30 11 C 3.175900 1.293100 0.000000 0 -M V30 12 O -3.272400 1.272400 0.000000 0 -M V30 13 O 3.182800 -1.200000 0.000000 0 -M V30 14 O 3.165500 2.534500 0.000000 0 -M V30 15 C -4.344800 0.655200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 2 4 8 -M V30 8 2 5 9 -M V30 9 1 6 10 -M V30 10 1 7 11 -M V30 11 1 8 12 -M V30 12 2 10 13 -M V30 13 2 11 14 -M V30 14 1 12 15 -M V30 15 1 7 10 -M V30 16 1 8 9 -M V30 END BOND -M V30 END CTAB -M END -> -463 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.155200 1.424100 0.000000 0 -M V30 2 C -1.241400 1.079300 0.000000 0 -M V30 3 S 0.758600 0.748300 0.000000 0 -M V30 4 C 0.224100 2.500000 0.000000 0 -M V30 5 C -1.489700 -0.020700 0.000000 0 -M V30 6 C 1.693100 1.400000 0.000000 0 -M V30 7 N 1.337900 2.500000 0.000000 0 -M V30 8 O -0.413800 3.458600 0.000000 0 -M V30 9 C -0.637900 -0.789700 0.000000 0 -M V30 10 C -2.593100 -0.351700 0.000000 0 -M V30 11 O 2.782800 1.020700 0.000000 0 -M V30 12 C -0.900000 -1.927600 0.000000 0 -M V30 13 C -2.865500 -1.489700 0.000000 0 -M V30 14 C -2.013800 -2.269000 0.000000 0 -M V30 15 F -2.262100 -3.382800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 2 4 8 -M V30 8 1 5 9 -M V30 9 2 5 10 -M V30 10 2 6 11 -M V30 11 2 9 12 -M V30 12 1 10 13 -M V30 13 1 12 14 -M V30 14 1 14 15 -M V30 15 1 6 7 -M V30 16 2 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -464 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 1.289700 -0.037900 0.000000 0 -M V30 2 C 0.851700 -0.620700 0.000000 0 -M V30 3 C 0.134500 -0.544800 0.000000 0 -M V30 4 C -0.306900 -1.137900 0.000000 0 -M V30 5 C -0.172400 0.124100 0.000000 0 -M V30 6 C -1.020700 -1.065500 0.000000 0 -M V30 7 C -0.886200 0.200000 0.000000 0 -M V30 8 C -1.327600 -0.396600 0.000000 0 -M V30 9 S -2.055200 -0.306900 0.000000 0 -M V30 10 N -2.796600 -0.306900 0.000000 0 -M V30 11 C -3.151700 0.317200 0.000000 0 -M V30 12 C -3.151700 -0.944800 0.000000 0 -M V30 13 C -3.893100 0.327600 0.000000 0 -M V30 14 C -3.893100 -0.944800 0.000000 0 -M V30 15 O -4.251700 -0.306900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 2 3 -M V30 3 1 3 4 -M V30 4 2 3 5 -M V30 5 2 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 1 10 12 -M V30 12 1 11 13 -M V30 13 1 12 14 -M V30 14 1 13 15 -M V30 15 2 7 8 -M V30 16 1 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -465 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 17 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.706900 0.075900 0.000000 0 -M V30 2 C 0.475900 0.075900 0.000000 0 -M V30 3 C -1.400000 1.031000 0.000000 0 -M V30 4 N -1.400000 -0.882800 0.000000 0 -M V30 5 C 1.069000 -0.948300 0.000000 0 -M V30 6 C 1.065500 1.100000 0.000000 0 -M V30 7 N -2.524100 0.665500 0.000000 0 -M V30 8 C -2.524100 -0.517200 0.000000 0 -M V30 9 C 2.251700 -0.948300 0.000000 0 -M V30 10 C 2.248300 1.100000 0.000000 0 -M V30 11 C -3.651700 1.027600 0.000000 0 -M V30 12 S -3.648300 -0.882800 0.000000 0 -M V30 13 C 2.841400 0.075900 0.000000 0 -M V30 14 C -4.344800 0.072400 0.000000 0 -M V30 15 Br 4.024100 0.075900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 2 2 6 -M V30 6 1 3 7 -M V30 7 2 4 8 -M V30 8 2 5 9 -M V30 9 1 6 10 -M V30 10 1 7 11 -M V30 11 1 8 12 -M V30 12 1 9 13 -M V30 13 1 11 14 -M V30 14 1 13 15 -M V30 15 1 7 8 -M V30 16 2 10 13 -M V30 17 1 12 14 -M V30 END BOND -M V30 END CTAB -M END -> -466 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 17 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.668600 -2.050200 0.000000 0 -M V30 2 C -0.047100 -2.465000 0.000000 0 -M V30 3 C -0.047700 -3.294500 0.000000 0 -M V30 4 C 0.674800 -3.706000 0.000000 0 -M V30 5 C 1.387100 -3.294500 0.000000 0 -M V30 6 C 1.384300 -2.466400 0.000000 0 -M V30 7 C 2.102300 -2.052200 0.000000 0 -M V30 8 N 2.101800 -1.223200 0.000000 0 -M V30 9 C 3.530200 -2.053200 0.000000 0 -M V30 10 C 2.817900 -2.463800 0.000000 0 -M V30 11 C 2.819800 -0.812000 0.000000 0 -M V30 12 N 3.530700 -1.224500 0.000000 0 -M V30 13 N 4.146700 -0.664700 0.000000 0 -M V30 14 C 3.812300 0.082000 0.000000 0 -M V30 15 C 2.992300 -0.003000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 10 7 -M V30 2 1 6 7 -M V30 3 1 11 12 -M V30 4 1 2 3 -M V30 5 2 5 6 -M V30 6 1 6 1 -M V30 7 2 1 2 -M V30 8 1 12 13 -M V30 9 2 13 14 -M V30 10 1 14 15 -M V30 11 2 15 11 -M V30 12 2 3 4 -M V30 13 2 7 8 -M V30 14 1 8 11 -M V30 15 1 12 9 -M V30 16 1 4 5 -M V30 17 2 9 10 -M V30 END BOND -M V30 END CTAB -M END -> -467 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 Si 2.489700 -0.444800 0.000000 0 -M V30 2 C 1.548300 -0.972400 0.000000 0 -M V30 3 O 3.244800 -1.213800 0.000000 0 -M V30 4 O 3.327600 0.234500 0.000000 0 -M V30 5 O 1.875900 0.427600 0.000000 0 -M V30 6 C 0.613800 -0.424100 0.000000 0 -M V30 7 C 4.300000 -0.944800 0.000000 0 -M V30 8 C 4.344800 -0.127600 0.000000 0 -M V30 9 C 2.341400 1.413800 0.000000 0 -M V30 10 C -0.317200 -0.958600 0.000000 0 -M V30 11 O -1.248300 -0.403400 0.000000 0 -M V30 12 C -2.189700 -0.937900 0.000000 0 -M V30 13 C -3.124100 -0.386200 0.000000 0 -M V30 14 C -3.658600 0.544800 0.000000 0 -M V30 15 O -4.206900 -0.372400 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 6 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 1 13 14 -M V30 14 1 13 15 -M V30 15 1 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -468 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.503400 -0.648300 0.000000 0 -M V30 2 N 0.517200 -0.055200 0.000000 0 -M V30 3 C -0.503400 -1.827600 0.000000 0 -M V30 4 C -1.524100 -0.058600 0.000000 0 -M V30 5 C 0.506900 1.120700 0.000000 0 -M V30 6 C -1.524100 -2.417200 0.000000 0 -M V30 7 C 0.517200 -2.417200 0.000000 0 -M V30 8 C -2.544800 -0.648300 0.000000 0 -M V30 9 N 1.531000 1.713800 0.000000 0 -M V30 10 N -0.506900 1.703400 0.000000 0 -M V30 11 C -2.544800 -1.827600 0.000000 0 -M V30 12 C 1.524100 2.882800 0.000000 0 -M V30 13 C -0.520700 2.869000 0.000000 0 -M V30 14 C 0.496600 3.469000 0.000000 0 -M V30 15 C 2.544800 3.479300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 2 5 9 -M V30 9 1 5 10 -M V30 10 1 6 11 -M V30 11 1 9 12 -M V30 12 1 10 13 -M V30 13 2 12 14 -M V30 14 1 12 15 -M V30 15 2 8 11 -M V30 16 1 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -469 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.224100 -0.444800 0.000000 0 -M V30 2 C -2.313800 -1.055200 0.000000 0 -M V30 3 C -2.313800 0.169000 0.000000 0 -M V30 4 C -0.134500 -1.055200 0.000000 0 -M V30 5 C -2.924100 -2.179300 0.000000 0 -M V30 6 N 0.955200 -0.444800 0.000000 0 -M V30 7 O -2.279300 -3.251700 0.000000 0 -M V30 8 N 2.041400 -1.055200 0.000000 0 -M V30 9 C 3.165500 -0.444800 0.000000 0 -M V30 10 C 3.165500 0.831000 0.000000 0 -M V30 11 C 4.255200 1.444800 0.000000 0 -M V30 12 C 2.041400 1.444800 0.000000 0 -M V30 13 C 4.255200 2.669000 0.000000 0 -M V30 14 C 2.041400 2.669000 0.000000 0 -M V30 15 N 3.165500 3.334500 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 1 6 8 -M V30 8 1 8 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 2 10 12 -M V30 12 2 11 13 -M V30 13 1 12 14 -M V30 14 1 13 15 -M V30 15 1 2 3 -M V30 16 2 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -470 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.317200 0.993100 0.000000 0 -M V30 2 C -0.996600 1.386200 0.000000 0 -M V30 3 N -0.317200 0.217200 0.000000 0 -M V30 4 N 0.348300 1.386200 0.000000 0 -M V30 5 N -1.658600 0.993100 0.000000 0 -M V30 6 N -0.996600 -0.165500 0.000000 0 -M V30 7 C 1.031000 1.003400 0.000000 0 -M V30 8 C -1.658600 0.217200 0.000000 0 -M V30 9 C 1.700000 1.400000 0.000000 0 -M V30 10 S -2.341400 -0.182800 0.000000 0 -M V30 11 O 2.369000 1.017200 0.000000 0 -M V30 12 C -2.341400 -0.951700 0.000000 0 -M V30 13 C 3.031000 1.406900 0.000000 0 -M V30 14 C 3.693100 1.044800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 8 10 -M V30 10 1 9 11 -M V30 11 1 10 12 -M V30 12 1 11 13 -M V30 13 1 13 14 -M V30 14 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -471 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.810300 -0.634500 0.000000 0 -M V30 2 O -1.810300 0.713800 0.000000 0 -M V30 3 N -0.634500 -1.313800 0.000000 0 -M V30 4 C -2.975900 -1.313800 0.000000 0 -M V30 5 C -0.634500 1.393100 0.000000 0 -M V30 6 C -0.624100 -2.665500 0.000000 0 -M V30 7 C -2.975900 -2.665500 0.000000 0 -M V30 8 C -0.634500 2.744800 0.000000 0 -M V30 9 C 0.537900 0.713800 0.000000 0 -M V30 10 N -1.800000 -3.344800 0.000000 0 -M V30 11 C 0.548300 -3.355200 0.000000 0 -M V30 12 C 0.527600 3.424100 0.000000 0 -M V30 13 C 1.713800 1.393100 0.000000 0 -M V30 14 C 1.703400 2.744800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 2 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 2 5 9 -M V30 9 1 6 10 -M V30 10 1 6 11 -M V30 11 2 8 12 -M V30 12 1 9 13 -M V30 13 1 12 14 -M V30 14 2 7 10 -M V30 15 2 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -472 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -0.110300 1.965500 0.000000 0 -M V30 2 C -0.110300 1.193100 0.000000 0 -M V30 3 C 0.562100 2.355200 0.000000 0 -M V30 4 C -0.782800 2.362100 0.000000 0 -M V30 5 N -0.782800 0.813800 0.000000 0 -M V30 6 C 1.231000 1.962100 0.000000 0 -M V30 7 C 0.562100 3.127600 0.000000 0 -M V30 8 C -1.448300 1.965500 0.000000 0 -M V30 9 C -1.448300 1.193100 0.000000 0 -M V30 10 C 1.237900 3.513800 0.000000 0 -M V30 11 C -2.117200 2.355200 0.000000 0 -M V30 12 C -2.117200 0.806900 0.000000 0 -M V30 13 C -2.793100 1.965500 0.000000 0 -M V30 14 C -2.793100 1.193100 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 2 3 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 7 10 -M V30 10 1 8 11 -M V30 11 1 9 12 -M V30 12 2 11 13 -M V30 13 2 12 14 -M V30 14 2 8 9 -M V30 15 1 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -473 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.889700 1.296600 0.000000 0 -M V30 2 C 0.889700 2.237900 0.000000 0 -M V30 3 N 1.706900 0.824100 0.000000 0 -M V30 4 N 0.072400 0.824100 0.000000 0 -M V30 5 C 1.706900 2.710300 0.000000 0 -M V30 6 C 2.524100 1.296600 0.000000 0 -M V30 7 C 0.072400 -0.120700 0.000000 0 -M V30 8 C 2.524100 2.237900 0.000000 0 -M V30 9 C -0.744800 -0.589700 0.000000 0 -M V30 10 N -0.744800 -1.534500 0.000000 0 -M V30 11 C -1.558600 -2.006900 0.000000 0 -M V30 12 C -1.558600 -2.948300 0.000000 0 -M V30 13 C -2.375900 -1.534500 0.000000 0 -M V30 14 C -3.193100 -2.006900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 9 10 -M V30 10 1 10 11 -M V30 11 2 11 12 -M V30 12 1 11 13 -M V30 13 2 13 14 -M V30 14 2 6 8 -M V30 END BOND -M V30 END CTAB -M END -> -474 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.262100 0.431000 0.000000 0 -M V30 2 C -2.289700 1.027600 0.000000 0 -M V30 3 N -1.110300 -0.772400 0.000000 0 -M V30 4 O -0.206900 0.927600 0.000000 0 -M V30 5 C -2.289700 2.220700 0.000000 0 -M V30 6 N -3.317200 0.431000 0.000000 0 -M V30 7 N 0.072400 -0.965500 0.000000 0 -M V30 8 C 0.631000 0.127600 0.000000 0 -M V30 9 C -3.317200 2.817200 0.000000 0 -M V30 10 C -4.344800 1.027600 0.000000 0 -M V30 11 C 0.693100 -1.889700 0.000000 0 -M V30 12 C -4.344800 2.220700 0.000000 0 -M V30 13 N 1.872400 -1.827600 0.000000 0 -M V30 14 C 2.520700 -2.817200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 2 9 12 -M V30 12 1 11 13 -M V30 13 1 13 14 -M V30 14 1 7 8 -M V30 15 1 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -475 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 3.840000 0.870000 0.000000 0 -M V30 2 C 1.170000 0.790000 0.000000 0 -M V30 3 C 0.500000 0.400000 0.000000 0 -M V30 4 C -0.170000 0.790000 0.000000 0 -M V30 5 C 0.500000 -0.380000 0.000000 0 -M V30 6 O 1.860000 0.420000 0.000000 0 -M V30 7 C 3.180000 0.460000 0.000000 0 -M V30 8 C -0.840000 -0.380000 0.000000 0 -M V30 9 N -1.510000 -0.760000 0.000000 0 -M V30 10 C -0.840000 0.400000 0.000000 0 -M V30 11 C -0.170000 -0.770000 0.000000 0 -M V30 12 C 2.510000 0.830000 0.000000 0 -M V30 13 C -1.510000 -1.520000 0.000000 0 -M V30 14 C -2.160000 -1.900000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 6 -M V30 2 1 3 2 -M V30 3 1 4 3 -M V30 4 2 5 3 -M V30 5 1 6 12 -M V30 6 1 7 1 -M V30 7 2 8 11 -M V30 8 1 9 8 -M V30 9 2 10 4 -M V30 10 1 11 5 -M V30 11 1 12 7 -M V30 12 1 13 9 -M V30 13 1 14 13 -M V30 14 1 10 8 -M V30 END BOND -M V30 END CTAB -M END -> -476 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 14 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.465500 -0.465500 0.000000 0 -M V30 2 C -1.703400 0.251700 0.000000 0 -M V30 3 N 0.769000 0.251700 0.000000 0 -M V30 4 C -0.465500 -1.900000 0.000000 0 -M V30 5 C -2.937900 -0.465500 0.000000 0 -M V30 6 N -1.703400 1.672400 0.000000 0 CHG=1 -M V30 7 C 2.079300 -0.327600 0.000000 0 -M V30 8 C 0.951700 1.717200 0.000000 0 -M V30 9 C -1.703400 -2.617200 0.000000 0 -M V30 10 Cl 0.769000 -2.617200 0.000000 0 -M V30 11 C -2.937900 -1.900000 0.000000 0 -M V30 12 O -0.527600 2.496600 0.000000 0 CHG=-1 -M V30 13 C 3.058600 0.772400 0.000000 0 -M V30 14 C 2.327600 1.989700 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 1 4 10 -M V30 10 1 5 11 -M V30 11 1 6 12 -M V30 12 1 7 13 -M V30 13 1 8 14 -M V30 14 2 9 11 -M V30 15 1 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -477 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 3.533600 -7.341400 0.000000 0 -M V30 2 C 4.250000 -6.933800 0.000000 0 -M V30 3 C 4.255200 -6.107900 0.000000 0 -M V30 4 C 3.538100 -5.691400 0.000000 0 -M V30 5 C 4.972400 -5.696500 0.000000 0 -M V30 6 O 4.696800 -4.921400 0.000000 0 -M V30 7 C 5.232300 -4.293800 0.000000 0 -M V30 8 N 4.956500 -3.516200 0.000000 0 -M V30 9 C 5.492200 -2.887800 0.000000 0 -M V30 10 C 3.333400 -2.479300 0.000000 0 -M V30 11 C 4.054200 -1.229300 0.000000 0 -M V30 12 C 4.770900 -2.479300 0.000000 0 -M V30 13 C 3.333400 -1.650100 0.000000 0 -M V30 14 C 4.054200 -2.891800 0.000000 0 -M V30 15 C 4.770900 -1.641800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 8 9 -M V30 2 2 2 3 -M V30 3 1 3 4 -M V30 4 1 3 5 -M V30 5 1 5 6 -M V30 6 1 6 7 -M V30 7 1 7 8 -M V30 8 1 1 2 -M V30 9 1 10 14 -M V30 10 2 10 13 -M V30 11 1 12 15 -M V30 12 1 13 11 -M V30 13 2 14 12 -M V30 14 2 15 11 -M V30 15 1 9 12 -M V30 END BOND -M V30 END CTAB -M END -> -478 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.331000 -1.124100 0.000000 0 -M V30 2 N 0.279300 -1.479300 0.000000 0 -M V30 3 N -0.331000 -0.389700 0.000000 0 -M V30 4 C 0.279300 -2.213800 0.000000 0 -M V30 5 C -0.331000 0.331000 0.000000 0 -M V30 6 C 0.900000 -2.548300 0.000000 0 -M V30 7 C 0.272400 0.700000 0.000000 0 -M V30 8 C -0.937900 0.689700 0.000000 0 -M V30 9 C 1.496600 -2.193100 0.000000 0 -M V30 10 C 0.903400 -3.258600 0.000000 0 -M V30 11 C 0.258600 1.424100 0.000000 0 -M V30 12 C -0.937900 1.424100 0.000000 0 -M V30 13 C 1.524100 -3.593100 0.000000 0 -M V30 14 C -0.348300 1.793100 0.000000 0 -M V30 15 C 2.127600 -3.237900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 3 5 -M V30 5 1 4 6 -M V30 6 1 5 7 -M V30 7 2 5 8 -M V30 8 1 6 9 -M V30 9 2 6 10 -M V30 10 2 7 11 -M V30 11 1 8 12 -M V30 12 1 10 13 -M V30 13 1 11 14 -M V30 14 2 12 14 -M V30 15 2 13 15 -M V30 END BOND -M V30 END CTAB -M END -> -479 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 17 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -0.093100 0.375900 0.000000 0 -M V30 2 C 0.927600 -0.213800 0.000000 0 -M V30 3 C -1.100000 -0.213800 0.000000 0 -M V30 4 C -0.848300 1.293100 0.000000 0 -M V30 5 O 0.986200 0.806900 0.000000 0 -M V30 6 C 0.927600 -1.400000 0.000000 0 -M V30 7 C 1.955200 0.375900 0.000000 0 -M V30 8 C -1.100000 -1.400000 0.000000 0 -M V30 9 C -0.203400 2.265500 0.000000 0 -M V30 10 C -2.017200 1.386200 0.000000 0 -M V30 11 C 0.910300 1.979300 0.000000 0 -M V30 12 O -0.093100 -1.996600 0.000000 0 -M V30 13 C -0.724100 3.327600 0.000000 0 -M V30 14 C -2.537900 2.444800 0.000000 0 -M V30 15 C -1.893100 3.400000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 2 2 6 -M V30 6 1 2 7 -M V30 7 2 3 8 -M V30 8 2 4 9 -M V30 9 1 4 10 -M V30 10 1 5 11 -M V30 11 1 6 12 -M V30 12 1 9 13 -M V30 13 2 10 14 -M V30 14 2 13 15 -M V30 15 1 8 12 -M V30 16 1 9 11 -M V30 17 1 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -480 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.613800 0.041400 0.000000 0 -M V30 2 C -1.906900 0.924100 0.000000 0 -M V30 3 C -2.244800 -0.658600 0.000000 0 -M V30 4 C -0.665500 -0.137900 0.000000 0 -M V30 5 O -2.810300 1.148300 0.000000 0 -M V30 6 O -3.172400 -0.431000 0.000000 0 -M V30 7 N -0.055200 0.582800 0.000000 0 -M V30 8 C -3.441400 0.448300 0.000000 0 -M V30 9 C 0.889700 0.427600 0.000000 0 -M V30 10 C -4.344800 0.179300 0.000000 0 -M V30 11 C 1.479300 1.148300 0.000000 0 -M V30 12 C 1.206900 -0.455200 0.000000 0 -M V30 13 C 2.427600 0.989700 0.000000 0 -M V30 14 C 2.131000 -0.610300 0.000000 0 -M V30 15 C 2.741400 0.110300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 7 9 -M V30 9 1 8 10 -M V30 10 2 9 11 -M V30 11 1 9 12 -M V30 12 1 11 13 -M V30 13 2 12 14 -M V30 14 2 13 15 -M V30 15 1 6 8 -M V30 16 1 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -481 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 17 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 0.224100 0.658600 0.000000 0 -M V30 2 C -0.962100 0.675900 0.000000 0 -M V30 3 C 0.579300 -0.475900 0.000000 0 -M V30 4 N 0.944800 1.610300 0.000000 0 -M V30 5 C -1.341400 -0.451700 0.000000 0 -M V30 6 C -1.744800 1.569000 0.000000 0 -M V30 7 S -0.386200 -1.162100 0.000000 0 -M V30 8 C 1.713800 -0.869000 0.000000 0 -M V30 9 C 2.134500 1.593100 0.000000 0 -M V30 10 C 0.596600 2.744800 0.000000 0 -M V30 11 N -2.513800 -0.706900 0.000000 0 -M V30 12 C -2.927600 1.331000 0.000000 0 -M V30 13 C 2.524100 2.717200 0.000000 0 -M V30 14 C 1.569000 3.437900 0.000000 0 -M V30 15 C -3.303400 0.196600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 2 1 3 -M V30 3 1 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 3 8 -M V30 8 1 4 9 -M V30 9 1 4 10 -M V30 10 1 5 11 -M V30 11 2 6 12 -M V30 12 2 9 13 -M V30 13 2 10 14 -M V30 14 2 11 15 -M V30 15 1 5 7 -M V30 16 1 12 15 -M V30 17 1 13 14 -M V30 END BOND -M V30 END CTAB -M END -> -482 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.458600 0.151700 0.000000 0 -M V30 2 C 2.458600 -0.986200 0.000000 0 -M V30 3 C 1.486200 0.710300 0.000000 0 -M V30 4 S 3.427600 0.710300 0.000000 0 -M V30 5 C 1.486200 -1.534500 0.000000 0 -M V30 6 C 0.503400 0.151700 0.000000 0 -M V30 7 C 4.344800 1.251700 0.000000 0 -M V30 8 O 4.089700 -0.262100 0.000000 0 -M V30 9 O 2.813800 1.620700 0.000000 0 -M V30 10 C 0.503400 -0.986200 0.000000 0 -M V30 11 N -0.465500 -1.527600 0.000000 0 -M V30 12 C -1.437900 -0.996600 0.000000 0 -M V30 13 O -2.400000 -1.544800 0.000000 0 -M V30 14 O -1.431000 0.134500 0.000000 0 -M V30 15 C -3.400000 -0.996600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 2 4 8 -M V30 8 2 4 9 -M V30 9 1 5 10 -M V30 10 1 10 11 -M V30 11 1 11 12 -M V30 12 1 12 13 -M V30 13 2 12 14 -M V30 14 1 13 15 -M V30 15 1 6 10 -M V30 END BOND -M V30 END CTAB -M END -> -483 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -5.482000 3.696000 0.000000 0 -M V30 2 C -5.482000 8.607500 0.000000 0 -M V30 3 N -1.240000 1.190500 0.000000 0 -M V30 4 C -1.240000 11.088500 0.000000 0 -M V30 5 C -1.240000 -3.721000 0.000000 0 -M V30 6 N -9.724000 1.240000 0.000000 0 -M V30 7 O -1.240000 16.000000 0.000000 0 -M V30 8 C 3.001500 -6.127500 0.000000 0 -M V30 9 C -9.724000 11.063500 0.000000 0 -M V30 10 C -13.965500 3.696000 0.000000 0 -M V30 11 C -5.507000 -6.127500 0.000000 0 -M V30 12 C 3.001500 -11.039000 0.000000 0 -M V30 13 C -13.965500 8.607500 0.000000 0 -M V30 14 C -5.556500 -11.039000 0.000000 0 -M V30 15 C -1.314500 -13.495000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 4 2 -M V30 4 1 5 3 -M V30 5 2 6 1 -M V30 6 2 7 4 -M V30 7 1 8 5 -M V30 8 2 9 2 -M V30 9 1 10 6 -M V30 10 2 11 5 -M V30 11 2 12 8 -M V30 12 2 13 10 -M V30 13 1 14 11 -M V30 14 2 15 14 -M V30 15 1 13 9 -M V30 16 1 15 12 -M V30 END BOND -M V30 END CTAB -M END -> -484 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 15 0 0 0 -M V30 BEGIN ATOM -M V30 1 N -1.020000 -0.860000 0.000000 0 -M V30 2 C -1.020000 0.390000 0.000000 0 -M V30 3 C 0.070000 -1.490000 0.000000 0 -M V30 4 C 1.160000 -0.870000 0.000000 0 -M V30 5 O -2.120000 1.020000 0.000000 0 -M V30 6 O 0.070000 1.010000 0.000000 0 -M V30 7 N -1.020000 -3.390000 0.000000 0 -M V30 8 C -2.110000 2.290000 0.000000 0 -M V30 9 C 0.070000 -2.740000 0.000000 0 -M V30 10 C -2.120000 -1.490000 0.000000 0 -M V30 11 O 2.240000 -1.500000 0.000000 0 -M V30 12 C -2.120000 -2.740000 0.000000 0 -M V30 13 C -3.350000 2.680000 0.000000 0 -M V30 14 C -2.670000 3.390000 0.000000 0 -M V30 15 C -1.010000 2.900000 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 1 -M V30 3 1 3 4 -M V30 4 1 5 2 -M V30 5 2 6 2 -M V30 6 1 7 12 -M V30 7 1 8 5 -M V30 8 1 9 3 -M V30 9 1 10 1 -M V30 10 1 11 4 -M V30 11 1 12 10 -M V30 12 1 13 8 -M V30 13 1 14 8 -M V30 14 1 15 8 -M V30 15 1 7 9 -M V30 END BOND -M V30 END CTAB -M END -> -485 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.234500 -0.065500 0.000000 0 -M V30 2 C -0.275900 -0.013800 0.000000 0 -M V30 3 N -1.482800 -0.993100 0.000000 0 -M V30 4 C -1.841400 0.679300 0.000000 0 -M V30 5 S 0.244800 0.793100 0.000000 0 -M V30 6 S 0.069000 -0.906900 0.000000 0 -M V30 7 N -0.675900 -1.513800 0.000000 0 -M V30 8 O -2.789700 0.527600 0.000000 0 -M V30 9 C 1.203400 0.744800 0.000000 0 -M V30 10 C -3.396600 1.272400 0.000000 0 -M V30 11 C 1.727600 1.551700 0.000000 0 -M V30 12 C 1.641400 -0.110300 0.000000 0 -M V30 13 C 2.686200 1.503400 0.000000 0 -M V30 14 C 2.603400 -0.158600 0.000000 0 -M V30 15 C 3.124100 0.648300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 1 8 10 -M V30 10 1 9 11 -M V30 11 2 9 12 -M V30 12 2 11 13 -M V30 13 1 12 14 -M V30 14 1 13 15 -M V30 15 1 6 7 -M V30 16 2 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -486 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.169000 0.672400 0.000000 0 -M V30 2 C -2.169000 -0.589700 0.000000 0 -M V30 3 C -1.082800 1.303400 0.000000 0 -M V30 4 C -3.258600 1.303400 0.000000 0 -M V30 5 N -1.082800 -1.220700 0.000000 0 -M V30 6 C -3.258600 -1.220700 0.000000 0 -M V30 7 C 0.006900 0.672400 0.000000 0 -M V30 8 C -4.344800 0.672400 0.000000 0 -M V30 9 C 0.006900 -0.589700 0.000000 0 -M V30 10 C -4.344800 -0.589700 0.000000 0 -M V30 11 Cl -3.258600 -2.469000 0.000000 0 -M V30 12 C 1.093100 1.303400 0.000000 0 -M V30 13 O 2.182800 0.686200 0.000000 0 -M V30 14 C 3.258600 1.317200 0.000000 0 -M V30 15 C 4.344800 0.713800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 2 4 8 -M V30 8 2 5 9 -M V30 9 2 6 10 -M V30 10 1 6 11 -M V30 11 1 7 12 -M V30 12 1 12 13 -M V30 13 1 13 14 -M V30 14 1 14 15 -M V30 15 1 7 9 -M V30 16 1 8 10 -M V30 END BOND -M V30 END CTAB -M END -> -487 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 14 0 0 0 -M V30 BEGIN ATOM -M V30 1 Ti 0.006900 -0.020700 0.000000 0 -M V30 2 O 0.469000 -0.482800 0.000000 0 -M V30 3 O -0.451700 -0.482800 0.000000 0 -M V30 4 O -0.451700 0.437900 0.000000 0 -M V30 5 O 0.469000 0.437900 0.000000 0 -M V30 6 C 1.086200 -0.324100 0.000000 0 -M V30 7 C -0.293100 -1.100000 0.000000 0 -M V30 8 C 0.303400 1.065500 0.000000 0 -M V30 9 C 1.531000 -0.769000 0.000000 0 -M V30 10 C -0.737900 -1.544800 0.000000 0 -M V30 11 C 0.748300 1.517200 0.000000 0 -M V30 12 C 2.134500 -0.613800 0.000000 0 -M V30 13 C 1.375900 -1.369000 0.000000 0 -M V30 14 C -0.582800 -2.148300 0.000000 0 -M V30 15 C 2.562100 -1.037900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 1 5 -M V30 5 1 2 6 -M V30 6 1 3 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 7 10 -M V30 10 1 8 11 -M V30 11 1 9 12 -M V30 12 1 9 13 -M V30 13 1 10 14 -M V30 14 1 12 15 -M V30 END BOND -M V30 END CTAB -M END -> -488 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.455200 -0.679300 0.000000 0 -M V30 2 C -0.569000 -1.755200 0.000000 0 -M V30 3 C -2.455200 -1.755200 0.000000 0 -M V30 4 C -3.400000 -0.144800 0.000000 0 -M V30 5 N -1.513800 -2.293100 0.000000 0 -M V30 6 S 0.358600 -2.275900 0.000000 0 -M V30 7 C -3.400000 -2.293100 0.000000 0 -M V30 8 C -4.344800 -0.679300 0.000000 0 -M V30 9 C 1.272400 -1.737900 0.000000 0 -M V30 10 C -4.344800 -1.755200 0.000000 0 -M V30 11 C 1.272400 -0.679300 0.000000 0 -M V30 12 C 2.182800 -2.258600 0.000000 0 -M V30 13 C 2.200000 -0.144800 0.000000 0 -M V30 14 C 3.110300 -1.737900 0.000000 0 -M V30 15 C 3.127600 -0.679300 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 3 -M V30 2 1 1 4 -M V30 3 2 2 5 -M V30 4 1 2 6 -M V30 5 1 3 7 -M V30 6 2 4 8 -M V30 7 1 6 9 -M V30 8 2 7 10 -M V30 9 1 9 11 -M V30 10 2 9 12 -M V30 11 2 11 13 -M V30 12 1 12 14 -M V30 13 1 13 15 -M V30 14 1 3 5 -M V30 15 1 8 10 -M V30 16 2 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -489 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 N 2.094900 -2.545900 0.000000 0 RAD=2 -M V30 2 C 2.081500 -1.184700 0.000000 0 -M V30 3 C 1.297600 -1.448300 0.000000 0 -M V30 4 C 0.573600 -1.031700 0.000000 0 -M V30 5 C -0.149000 -1.450500 0.000000 0 -M V30 6 C -0.147800 -2.286000 0.000000 0 -M V30 7 C 0.576200 -2.702600 0.000000 0 -M V30 8 C 1.298800 -2.283800 0.000000 0 -M V30 9 N 2.334500 -0.386400 0.000000 0 -M V30 10 C 3.152500 -0.206400 0.000000 0 -M V30 11 N 2.582300 -1.868700 0.000000 0 -M V30 12 C 3.936500 -0.127300 0.000000 0 -M V30 13 C 3.615700 -1.850200 0.000000 0 -M V30 14 C 4.095300 -2.702800 0.000000 0 -M V30 15 C 4.666000 -1.982800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 7 8 -M V30 2 1 1 11 -M V30 3 2 2 9 -M V30 4 1 11 2 -M V30 5 1 9 10 -M V30 6 1 2 3 -M V30 7 1 8 1 -M V30 8 2 3 8 -M V30 9 1 10 12 -M V30 10 1 3 4 -M V30 11 2 4 5 -M V30 12 1 5 6 -M V30 13 2 6 7 -M V30 14 1 13 14 -M V30 15 1 13 15 -M V30 16 1 11 13 -M V30 END BOND -M V30 END CTAB -M END -> -490 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 2.212500 0.658300 0.000000 0 -M V30 2 N 2.216700 0.070800 0.000000 0 -M V30 3 N 2.216700 -1.112500 0.000000 0 -M V30 4 C 2.237500 -1.700000 0.000000 0 -M V30 5 S 2.716700 0.958300 0.000000 0 -M V30 6 C 1.704200 -0.229200 0.000000 0 -M V30 7 C 2.737500 -0.229200 0.000000 0 -M V30 8 C 1.704200 -0.825000 0.000000 0 -M V30 9 C 2.729200 -0.804200 0.000000 0 -M V30 10 C 2.750000 -1.987500 0.000000 0 -M V30 11 C 2.766700 -2.575000 0.000000 0 -M V30 12 C 1.737500 -2.012500 0.000000 0 -M V30 13 C 1.750000 -2.604200 0.000000 0 -M V30 14 C 2.254200 -2.879200 0.000000 0 -M V30 15 C 3.287500 -2.854200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 2 1 -M V30 2 1 3 9 -M V30 3 1 4 3 -M V30 4 2 5 1 -M V30 5 1 6 2 -M V30 6 1 7 2 -M V30 7 1 8 6 -M V30 8 1 9 7 -M V30 9 1 10 4 -M V30 10 2 11 10 -M V30 11 2 12 4 -M V30 12 1 13 12 -M V30 13 2 14 13 -M V30 14 1 15 11 -M V30 15 1 3 8 -M V30 16 1 11 14 -M V30 END BOND -M V30 END CTAB -M END -> -491 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C 4.588400 -0.369300 0.000000 0 -M V30 2 C 5.401500 -0.522100 0.000000 0 -M V30 3 C 5.938500 0.104800 0.000000 0 -M V30 4 C 5.663500 0.884900 0.000000 0 -M V30 5 C 4.846600 1.034400 0.000000 0 -M V30 6 C 4.313200 0.406200 0.000000 0 -M V30 7 C 4.052000 -0.996100 0.000000 0 -M V30 8 C 3.240700 -0.841400 0.000000 0 -M V30 9 C 2.704500 -1.467400 0.000000 0 -M V30 10 C 2.979000 -2.246400 0.000000 0 -M V30 11 C 3.794800 -2.395600 0.000000 0 -M V30 12 C 4.327300 -1.768400 0.000000 0 -M V30 13 C 2.437600 -2.878400 0.000000 0 -M V30 14 O 3.061600 -3.418700 0.000000 0 -M V30 15 C 2.905800 -4.228900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 6 1 -M V30 2 1 10 13 -M V30 3 2 1 2 -M V30 4 1 1 7 -M V30 5 2 3 4 -M V30 6 1 13 14 -M V30 7 2 7 8 -M V30 8 1 14 15 -M V30 9 1 8 9 -M V30 10 1 4 5 -M V30 11 2 9 10 -M V30 12 1 2 3 -M V30 13 1 10 11 -M V30 14 2 5 6 -M V30 15 2 11 12 -M V30 16 1 12 7 -M V30 END BOND -M V30 END CTAB -M END -> -492 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -2.317200 -0.255200 0.000000 0 -M V30 2 C -2.803400 0.406900 0.000000 0 -M V30 3 N -1.500000 -0.255200 0.000000 0 -M V30 4 C -2.569000 -1.031000 0.000000 0 -M V30 5 C -2.469000 1.158600 0.000000 0 -M V30 6 C -3.610300 0.320700 0.000000 0 -M V30 7 C -1.255200 -1.031000 0.000000 0 -M V30 8 S -1.910300 -1.510300 0.000000 0 -M V30 9 C -2.948300 1.813800 0.000000 0 -M V30 10 C -4.089700 0.975900 0.000000 0 -M V30 11 N -0.472400 -1.282800 0.000000 0 -M V30 12 C -3.758600 1.727600 0.000000 0 -M V30 13 C 0.303400 -1.534500 0.000000 0 -M V30 14 C 0.910300 -0.993100 0.000000 0 -M V30 15 O 1.682800 -1.244800 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 2 1 4 -M V30 4 2 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 4 8 -M V30 8 1 5 9 -M V30 9 2 6 10 -M V30 10 1 7 11 -M V30 11 2 9 12 -M V30 12 1 11 13 -M V30 13 1 13 14 -M V30 14 1 14 15 -M V30 15 1 7 8 -M V30 16 1 10 12 -M V30 END BOND -M V30 END CTAB -M END -> -493 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.241400 -1.241400 0.000000 0 -M V30 2 N -2.165500 -1.782800 0.000000 0 -M V30 3 C -1.251700 -0.169000 0.000000 0 -M V30 4 C -2.151700 -2.851700 0.000000 0 -M V30 5 C -3.082800 -1.265500 0.000000 0 -M V30 6 C -0.296600 -2.837900 0.000000 0 -M V30 7 C -2.189700 0.351700 0.000000 0 -M V30 8 C -0.313800 0.375900 0.000000 0 -M V30 9 N -1.227600 -3.386200 0.000000 0 -M V30 10 S -3.065500 -3.400000 0.000000 0 -M V30 11 C -4.013800 -1.806900 0.000000 0 -M V30 12 C -2.189700 1.427600 0.000000 0 -M V30 13 C -0.341400 1.448300 0.000000 0 -M V30 14 C -3.996600 -2.875900 0.000000 0 -M V30 15 C -1.258600 1.975900 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 2 3 7 -M V30 6 1 3 8 -M V30 7 2 4 9 -M V30 8 1 4 10 -M V30 9 1 5 11 -M V30 10 1 7 12 -M V30 11 2 8 13 -M V30 12 1 10 14 -M V30 13 2 12 15 -M V30 14 1 6 9 -M V30 15 1 11 14 -M V30 16 1 13 15 -M V30 END BOND -M V30 END CTAB -M END -> -494 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.300000 0.972400 0.000000 0 -M V30 2 C -2.265500 1.344800 0.000000 0 -M V30 3 C -0.334500 1.272400 0.000000 0 -M V30 4 N -2.910300 0.551700 0.000000 0 -M V30 5 C -2.662100 2.310300 0.000000 0 -M V30 6 N 0.234500 0.403400 0.000000 0 -M V30 7 C -3.948300 0.700000 0.000000 0 -M V30 8 C -3.675900 2.482800 0.000000 0 -M V30 9 C 1.275900 0.403400 0.000000 0 -M V30 10 C -4.344800 1.665500 0.000000 0 -M V30 11 C 1.793100 -0.486200 0.000000 0 -M V30 12 C 1.793100 1.320700 0.000000 0 -M V30 13 C 2.834500 -0.486200 0.000000 0 -M V30 14 C 2.834500 1.320700 0.000000 0 -M V30 15 C 3.355200 0.427600 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 1 1 2 -M V30 2 1 1 3 -M V30 3 1 2 4 -M V30 4 1 2 5 -M V30 5 1 3 6 -M V30 6 1 4 7 -M V30 7 1 5 8 -M V30 8 1 6 9 -M V30 9 1 7 10 -M V30 10 2 9 11 -M V30 11 1 9 12 -M V30 12 1 11 13 -M V30 13 2 12 14 -M V30 14 2 13 15 -M V30 15 1 8 10 -M V30 16 1 14 15 -M V30 END BOND -M V30 END CTAB -M END -> -495 - -$$$$ - - -BINGO- - - 0 0 0 0 0 0 0 0 0 0 0 V3000 -M V30 BEGIN CTAB -M V30 COUNTS 15 16 0 0 0 -M V30 BEGIN ATOM -M V30 1 C -1.248300 -0.103400 0.000000 0 -M V30 2 C -1.248300 -1.524100 0.000000 0 -M V30 3 C 0.020700 0.627600 0.000000 0 -M V30 4 C -2.479300 0.627600 0.000000 0 -M V30 5 C 0.020700 -2.255200 0.000000 0 -M V30 6 C -2.479300 -2.255200 0.000000 0 -M V30 7 C 1.248300 -0.103400 0.000000 0 -M V30 8 O 0.020700 2.048300 0.000000 0 -M V30 9 C -3.706900 -0.103400 0.000000 0 -M V30 10 O -2.479300 2.048300 0.000000 0 -M V30 11 C 1.248300 -1.524100 0.000000 0 -M V30 12 C -3.706900 -1.524100 0.000000 0 -M V30 13 C 2.479300 0.665500 0.000000 0 -M V30 14 C 2.479300 -2.255200 0.000000 0 -M V30 15 O 2.479300 2.086200 0.000000 0 -M V30 END ATOM -M V30 BEGIN BOND -M V30 1 2 1 2 -M V30 2 1 1 3 -M V30 3 1 1 4 -M V30 4 1 2 5 -M V30 5 1 2 6 -M V30 6 2 3 7 -M V30 7 1 3 8 -M V30 8 2 4 9 -M V30 9 1 4 10 -M V30 10 2 5 11 -M V30 11 2 6 12 -M V30 12 1 7 13 -M V30 13 1 11 14 -M V30 14 2 13 15 -M V30 15 1 7 11 -M V30 16 1 9 12 -M V30 END BOND -M V30 END CTAB -M END -> -496 - -$$$$ - - Mrv0541 10231317062D - - 25 27 0 0 0 0 999 V2000 - -0.7145 -5.3625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7145 -8.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 1.4289 -9.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 1.4289 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1434 -10.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1434 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.8579 -11.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 3.5724 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.2868 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.0013 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.7158 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.7158 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.0013 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.2868 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.4289 -11.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7145 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7145 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.0000 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4289 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 4 0 0 0 0 - 3 4 4 0 0 0 0 - 5 4 1 4 0 0 0 - 5 6 2 0 0 0 0 - 6 7 1 0 0 0 0 - 7 8 1 0 0 0 0 - 8 9 4 0 0 0 0 - 9 10 4 0 0 0 0 - 10 11 1 0 0 0 0 - 11 12 1 0 0 0 0 - 12 13 1 0 0 0 0 - 13 14 4 0 0 0 0 - 14 15 4 0 0 0 0 - 15 16 4 0 0 0 0 - 16 17 4 0 0 0 0 - 17 18 4 0 0 0 0 - 13 18 4 0 0 0 0 - 10 19 4 0 0 0 0 - 19 20 4 0 0 0 0 - 20 21 4 0 0 0 0 - 8 21 4 0 0 0 0 - 20 22 1 0 0 0 0 - 4 23 4 0 0 0 0 - 23 24 4 0 0 0 0 - 24 25 4 0 0 0 0 - 2 25 4 0 0 0 0 -M END -> -497 - -$$$$ - - -INDIGO-12191711052D - - 21 22 0 0 0 0 0 0 0 0999 V2000 - 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 4 0 0 0 0 - 3 4 4 0 0 0 0 - 4 5 1 0 0 0 0 - 5 6 1 0 0 0 0 - 5 7 2 3 0 0 0 - 4 8 4 0 0 0 0 - 8 9 4 0 0 0 0 - 9 10 4 0 0 0 0 - 10 2 4 0 0 0 0 - 10 11 1 0 0 0 0 - 11 12 2 0 0 0 0 - 12 13 1 0 0 0 0 - 13 14 4 0 0 0 0 - 14 15 4 0 0 0 0 - 15 16 4 0 0 0 0 - 16 17 1 0 0 0 0 - 17 18 1 0 0 0 0 - 17 19 2 0 0 0 0 - 16 20 4 0 0 0 0 - 20 21 4 0 0 0 0 - 21 13 4 0 0 0 0 -M END -> -498 - -$$$$ diff --git a/api/tests/integration/tests/bingo/part_test.py b/api/tests/integration/tests/bingo/part_test.py index 3c376e2cd0..300c4e5210 100644 --- a/api/tests/integration/tests/bingo/part_test.py +++ b/api/tests/integration/tests/bingo/part_test.py @@ -1,4 +1,3 @@ -import os import sys import threading @@ -7,6 +6,7 @@ Bingo, BingoException, Indigo, + dataPath, getIndigoExceptionText, joinPathPy, ) @@ -20,11 +20,10 @@ def outPrint(s, pid, output): output[pid] = "{0}\n{1}".format(old_out, s) -def insertSmi(db, input_smi): +def insertSmi(db, smi_path): index = 0 wrongStructures = 0 - smi_path = joinPathPy(os.path.join("molecules", input_smi), __file__) for mol in indigo.iterateSmilesFile(smi_path): try: db.insert(mol) @@ -65,7 +64,7 @@ def partCreate(): indigo, joinPathPy("mol_part_db", __file__), "molecule", "mt_size:2000" ) - insertSmi(bingo, "sample_100000.smi") + insertSmi(bingo, dataPath("molecules/basic/sample_100000.smi")) bingo.close() @@ -77,7 +76,7 @@ def partTest(size, searchType="sub"): index = 0 for m in indigo.iterateSDFile( - joinPathPy("molecules/rand_queries_small.sdf", __file__) + dataPath("molecules/basic/rand_queries_small.sdf") ): try: print("\nQuery #{0}".format(index + 1)) diff --git a/data/molecules/basic/rand_queries_small.sdf b/data/molecules/basic/rand_queries_small.sdf index 16a60e1608..031ecadb28 100644 --- a/data/molecules/basic/rand_queries_small.sdf +++ b/data/molecules/basic/rand_queries_small.sdf @@ -18390,4 +18390,117 @@ M END > 496 +$$$$ + + Mrv0541 10231317062D + + 25 27 0 0 0 0 999 V2000 + -0.7145 -5.3625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7145 -8.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.4289 -9.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.4289 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.1434 -10.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.1434 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.8579 -11.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5724 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2868 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0013 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7158 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7158 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0013 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2868 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.4289 -11.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7145 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7145 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.0000 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4289 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4289 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 4 0 0 0 0 + 3 4 4 0 0 0 0 + 5 4 1 4 0 0 0 + 5 6 2 0 0 0 0 + 6 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 8 9 4 0 0 0 0 + 9 10 4 0 0 0 0 + 10 11 1 0 0 0 0 + 11 12 1 0 0 0 0 + 12 13 1 0 0 0 0 + 13 14 4 0 0 0 0 + 14 15 4 0 0 0 0 + 15 16 4 0 0 0 0 + 16 17 4 0 0 0 0 + 17 18 4 0 0 0 0 + 13 18 4 0 0 0 0 + 10 19 4 0 0 0 0 + 19 20 4 0 0 0 0 + 20 21 4 0 0 0 0 + 8 21 4 0 0 0 0 + 20 22 1 0 0 0 0 + 4 23 4 0 0 0 0 + 23 24 4 0 0 0 0 + 24 25 4 0 0 0 0 + 2 25 4 0 0 0 0 +M END +> +497 + +$$$$ + + -INDIGO-12191711052D + + 21 22 0 0 0 0 0 0 0 0999 V2000 + 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 2 3 4 0 0 0 0 + 3 4 4 0 0 0 0 + 4 5 1 0 0 0 0 + 5 6 1 0 0 0 0 + 5 7 2 3 0 0 0 + 4 8 4 0 0 0 0 + 8 9 4 0 0 0 0 + 9 10 4 0 0 0 0 + 10 2 4 0 0 0 0 + 10 11 1 0 0 0 0 + 11 12 2 0 0 0 0 + 12 13 1 0 0 0 0 + 13 14 4 0 0 0 0 + 14 15 4 0 0 0 0 + 15 16 4 0 0 0 0 + 16 17 1 0 0 0 0 + 17 18 1 0 0 0 0 + 17 19 2 0 0 0 0 + 16 20 4 0 0 0 0 + 20 21 4 0 0 0 0 + 21 13 4 0 0 0 0 +M END +> +498 + $$$$ diff --git a/api/tests/integration/tests/bingo/molecules/sample_100000.smi b/data/molecules/basic/sample_100000.smi similarity index 98% rename from api/tests/integration/tests/bingo/molecules/sample_100000.smi rename to data/molecules/basic/sample_100000.smi index bbe3c919c7..61e650eb50 100644 --- a/api/tests/integration/tests/bingo/molecules/sample_100000.smi +++ b/data/molecules/basic/sample_100000.smi @@ -1,100000 +1,100000 @@ -P(=O)(O)(O)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OCC(C)C)O[C@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2 9547993 -O[C@H](C)[C@@H]1[C@H]2C(N(CCCC)C([C@H]2[C@]2(C(NC3=CC=CC=C23)=O)[NH2+]1)=O)=O 7643177 -BrC1=C(/N=N/C2C=CC(=CC=2)N(CC)CC)S[N+](C)=C1C.S(=O)(=O)([O-])OC 10950918 -FC(C1CC(C2C=CC=C(C=2)OC)N=C2C(C(NCC(C)C)=O)=CNN12)(F)F 5767079 -FC(C1C=CC(=CC=1)CN(C)C[C@@H]1[C@@H](C)CN(C(C2C=C(C=CC=2O[C@@H](C)CCCCO1)NC(NC1=CC=CC2=CC=CC=C12)=O)=O)[C@H](C)CO)(F)F 44619943 -S1C=CC(=C1C1=NN=NN1OC(C)=O)NC(C)=O 19427314 -OCCCC1=C(C=O)NC2=CC=CC=C12 20613608 -BrC1=CC=C(C(N2CCC(C(=O)[O-])CC2)=O)S1 25732691 -FC1=C(C=CC(/C=C/C(NNC([C@@H](C)OC2C=CC(=CC=2)F)=O)=O)=C1)OC 9160181 -ClC1C=C(C=CC=1OCC1C=CC(=CC=1)F)C=C1C(N(C(=S)S1)CC)=O 1224072 -S(C#N)C(C1C=CC(=CC=1)OC)P(=O)(OCC)OCC 12982154 -O(C)C1=CC=CC(=C1)C(C1C=CC(C(N(CC)CC)=O)=CC=1)N1C[C@@H](C)N(CC=C)C[C@@H]1C 44275474 -S(C1C=CC(C)=C(C)C=1)(C(C1=CC=CO1)CNS(C1C=CC2=C(C=1)OC(N2)=O)(=O)=O)(=O)=O 44647334 -ClC1=CC=CC=C1C(=O)OC(C)C(NC1=C(C)C=CC(=C1)S(N(C)C)(=O)=O)=O 16539837 -BrC1C=CC(=CC=1)C1C(=C(C2C=CC=C(C=2)OCCC)O)C(C(N1C1=NC(C)=C(C(=O)OC)S1)=O)=O 5175621 -OC1=CC(C)=C(C=C1C)N1N=C2C=CC(C)=CC2=N1 21390059 -O(CCOC)CCCNC(CCCOC1C=CC(C#N)=CC=1OC)=O 47035658 -FC1=CC=CC=C1C[C@@H](C(N[C@H](C(=O)O)C)=O)NC(C[C@@H]([C@@H](C)CCCC)OC([C@@H]([C@@H](C)CC)N)=O)=O 11678076 -FC1C=CC(=CC=1)CN1CCC(CC1)NC(NC1=CC=CC=C1OC)=O 52257557 -OC1(C)CCC[C@@H](C2C=CN=C(C=2C2=NC3=CC=CC=C3N2)OC2=CC=CC=C2C=O)C1 46216568 -S(C1=C(C=CC(C(NC2=C(C)C=CC=C2CC)=O)=C1)OC)(N(C)OC)(=O)=O 8084879 -BrC1C=C(C)C=CC=1OCC(NNC([C@H](C1C=CC=CC=1)OC)=O)=O 40572247 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-O(CCCC)C1=CC=CC=C1C1C(C(=O)OCC)=C(C)NC(N1)=O 3122663 -S(C1C(C)=C(C)C=C(C)C=1C)(NC1C=CC(=CC=1)CS(N)(=O)=O)(=O)=O 52561432 -BrC1C=CC(=CC=1)NC(COC(CC1C=CC(=CC=1)Cl)=O)=O 7922013 -O=C(C1=NOC(C2C=CC=C(C(=O)OC)N=2)=N1)CCCCCCC1C=CC=CC=1 24951159 -ClC1C=C(C=CC=1N1CCCCC1)NCC1=CC=CC=N1 49933128 -S1C2=C(C(C3C=CC(=CC=3)OC)=N1)N=CN=C2N1CCN(C(C2C=CC(C)=CC=2)=O)CC1 1462101 -O=C1CN(C2C=CC(=CN=2)NC(CC2C=CC(=CC=2)N2C=CC=N2)=O)CCN1 46473689 -S1C2=CC=CC=C2N(C2C=CC(C3C=CC(CO)=CC=3)=CC1=2)CCCCCC 44239572 -FC(C1=CC=CC=C1NC(COC(CN1C(N[C@](C)(C1=O)C1CC1)=O)=O)=O)(F)F 8394353 -FC1=CC=CC(=C1)C(C)NCC1CC2C=CC1C2 43225350 -O(C)C1C(=C(C=C(C=1)CNC(C1C=C(C=CC=1OC)[N+](=O)[O-])=O)OC)OC 9483465 -BrC1C=CC(=CC=1)[C@@H](C)NC(CN1C(CCOC2=CC=CC=C12)=O)=O 9185534 -O=C(C1=CC=CC=C1C)NN/C(=C1/C=CC(C=C/1)=O)/CC 5332453 -O(C(C)(C)C)C1CN(C(C(C2CCCCC2)NC(=O)OCC(C)C)=O)C(C(NC(C(C(NCC(NC(C(N)=O)CC(=O)OC(C)(C)C)=O)=O)=O)CCC)=O)C1 21017622 -O(C)C1=C(C=CC(/C=C/C(CC(C2C=CC=CC=2)=O)=O)=C1)O 14695710 -O=C(C1C=CC(=CC=1)C(C)(C)C)N1CC[NH+](CCC)CC1 27212409 -O=C1[C@H](CC2C=CC=CC=2)NC([C@H]2C[C@@H](C(NCCCCCC[N+](C)(C)C)=O)[C@@H](C3C=CC=C(C=3)OCCO)N21)=O 23975564 -S(C1=CC=CC(C(C)=O)=C1)(NC(C1=CC=CS1)C1C=CC(CC)=CC=1)(=O)=O 17513514 -S1CCSC21C1C(C)=C(C(NC3C=CC4=C(C=3)C3=CC=CC=C3N4CC)=O)OC=1CCC2 18832124 -IC1C=CC(=C(C=1)Cl)NC1=C(C(=C(C=C1C(NOCC1CC1CO)=O)Br)F)F 22286080 -S1C(N(C(/C/1=C/C1=CC=CN1)=O)[C@@H](C(=O)O)CC(=O)O)=S 7657199 -[Si](C)(C)(C1C=CC(=CC=1)OC)C(CCN1C=C(CCO)N=N1)[C@H]1[C@H](C)[C@H](C2C=C(C=CC=2O1)N1C(CCC1)=O)OC 23985393 -ClC1=CC=CC(=C1)NC(CCN1CCN(C)CC1)=O.[Cl-] 49951141 -S(C1C=C(C=CC=1N1CCCCC1)NC(NC1C=CC(=CC=1)F)=O)(NC1=CC=CC=C1OC)(=O)=O 3537328 -S(C1=CC=CC2C=CC=NC1=2)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C=C)(=O)=O 11943085 -FC1C(=C(C=CC=1NC(CN(CCC)CC(NC(C1C=CC2=C(C=1)OCCO2)C(C)C)=O)=O)F)F 24491087 -S(CC)(NC(CCSC)C(N1CCCC1C(=O)O)=O)(=O)=O 43355494 -S(=O)(=O)([O-])OCCOCCCCCCCCCC.[NH4+] 171151 -S1C(=NN=C1C(C)C)NC([C@H](C)SCC(=O)OC)=O 7163750 -ClC1=CC=CC=C1NC(CN(C)C(CN1C(C(F)(F)F)=NC2=CC=CC=C12)=O)=O 35503114 -FC1C=CC=C(C=1NC(CN(CC)C(C1C(/C=C(\C)/C)C1(C)C)=O)=O)F 51272357 -[O-][N+](C1=C(C)N=C(N/N=C/C2C=CC=CC=2)N=C1N(C)C1C=CC=CC=1)=O 9585206 -ClC1=CC=CC=C1/N=N/C1C(C2C=CC(=CC=2)OCC)=CC(N(C2C=CC=CC=2)C=1N1CCN(CC)CC1)=O 46945513 -O=CC1C=C(C(=O)[O-])C=CC=1C 19019190 -S1C(=CC=C1[C@@H]1C(C#N)=C(N)N(C2C=C(C=CC=2C)[N+](=O)[O-])C2=C1C(C[C@H](C1C=CC=CC=1)C2)=O)C(C)(C)C 1748021 -S1C2C(C3=C1CCCC3)=C(N=C(C(C)CC)N=2)N1CCN(CC1)C(C1CCCC1)=O 45953372 -O=C(C1CC1)NC1C=CC(=CC=1)N1C(C2=CC=CC=C2C)=NC(=N1)OC 814934 -O(CC1C=CC=CC=1)C1C=CC2=C(C=1)CC[C@@H]1[C@@H]2CC[C@]2(C)C3C(=CN(C)N=3)C[C@H]21 11618211 -O(/C(=C(\C#N)/O)/C)CC 12527491 -[Si](C)(C)(C(C)(C)C)O[C@H]1C2C(=C3C(C4C(=CC=CC=4C(C3=C(C=2C[C@H](C(C)=O)C1)OC)=O)OC)=O)O 23260569 -O=C(C(CO)NC(=O)OC(C)(C)C)N(C(C(NC(C)C)=O)C1C=CC=CC=1)C1CCC1 18034748 -O1C2=CC(CNC(CN3C=NN=C3C#N)=O)=C(C=C2C[C@H]1C)OCC 40938495 -S1(C=C[C@H](C1)N(C(CCC1C=CC=CC=1)=O)C1C=C(C)C=C(C)C=1)(=O)=O 40477220 -ClC1=CC(=C(C=C1/C(=C/OP(=O)([O-])[O-])/Cl)Cl)Cl 19907277 -S(CC1=NOC(C2=CC=CS2)=N1)(C1=NN=CN1CCOC)(=O)=O 45913037 -ClC1C=C(C(C(=O)O)=CC=1S(N1CCN(CC2=CSC=C2)CC1)(=O)=O)Cl 45301355 -O(C)C1C(=CC=CC=1CNC(CN1C(C=C(C)N=C1NC1C=C(C)C=C(C)C=1)=O)=O)OC 51364734 -O=C(C1CCN(C(C(NC2C=CC(C(NC3=CC=CC=C3C)=O)=CC=2C)=O)C)CC1)NC(C(NC1C=CC(C(NC(C)CC)=O)=CC=1)=O)C(C)C 50278851 -O1C2C[C@@H]3[C@@]4(C[C@@H](C(=O)OC)N3C(=O)OCC3C=CC=CC=3)[C@H](CC(=O)O4)C12 5461372 -O(C)[C@H]1CC[C@H]2[C@@](C=C)(C)[C@]21/C(=C\[N+]#N)/[O-] 11447339 -ClC1C=CC(=CC=1)N1C(CN(CCC2C=CC(=CC=2)F)[C@H]2CS(C[C@@H]12)(=O)=O)=O 24281610 -BrC1C=CC(=CC=1)/C=C/C(NNC(CN1C(CCCCC1)=O)=O)=O 9218906 -ClC1=CC=CC(=C1C)NC([C@H](C)SC1C=CC(C(F)(F)F)=CN=1)=O 41541219 -BrC1=CC2=C(C=C1NC([C@@H]1CC3=CC=CC=C3CN1C(C1=CC=CO1)=O)=O)OCCO2 30899125 -O(C1C=CC(/C=C/C)=CC=1OC)CC(N(CC)CC1=NC(C2=CC=CC=C2N1)=O)=O 8929631 -O=C1[C@@]2(C3=CC=CC=C3N1C)NC1=CC=CC=C1C(N2C[C@H](C1C=CC=CC=1)[NH+](C)C)=O 51717410 -ClC1=CC=CC(=C1)N1C(C(C(N2CCOCC2)=O)CC1)=O 46744207 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18915882 -S1C2=NC=NN2C(=C1[C@H](C1C=CC(=CC=1)F)[NH+]1CC[NH+](CCO)CC1)O 2149247 -P(C1C=CC=CC=1)(C(C1C(C)=CC(C)=CC=1C)=O)(=O)OC1C=CC=CC=1 18983517 -S(C1C=CC(C)=CC=1)(N1CCC[C@@H]1CNC(C(NCC(OC)OC)=O)=O)(=O)=O 7286177 -S(C1=NN=C(C2=CC=CO2)O1)CC(N(C)CC1=CC=CC=C1OC)=O 8257520 -S1C(N(C(C1=CC1C=CC(C)=C(C=1)OC)=O)C1C=CC(C)=C(C)C=1)=S 4623392 -O1C([C@H](CC(C)C)OC(CCNC([C@@H](CC2C=CC(=CC=2)OC)NC(C=CC[C@H]1[C@@](C#CC1C=CC=CC=1)(C)O)=O)=O)=O)=O |c:16,18,35,37,t:20,26,39| 44268664 -O[C@@H]1C[C@@H]2C(=C)C[C@@]31C=CC([C@@](C)(CCC(NC1=C(C=CC(C(=O)O)=C1O)O)=O)C3C2)=O 45267555 -O[N+]1=CC=CC=C1CO 6369507 -O=C1C[C@@H](C(NC2=CC=CC=C2C(=O)OC)=O)CN1CC1=CC=CO1 41293063 -S(CC(NC1C=CC=C(C=1)[N+](=O)[O-])=O)C1=NN=C(C)N1C1C=CC(C)=CC=1 16073051 -O=C1C(C(=O)OC)=C2C3=CC=CC=C3C=C3C4(CCCCC4)N[C@]1(C(=O)OC)[C@]32C1C=CC=CC=1 10885173 -O(C)C1C=CC(=CC=1CC[NH3+])OC 21679955 -O1CCN(C2=C(C=CC=[NH+]2)CNC([C@@H](C2=CC=CC(C)=C2)[NH+](C)C)=O)CC1 42209727 -O=C(C1CCN(CC(NC2=CC=CC=C2C(NCCC)=O)=O)CC1)NC(C(NC1=CC=CC(C(N(C)C)=O)=C1C)=O)C(C)C 50732827 -O(C)C1C(=C(C=C(C=1)[C@@H]1CC(C(=O)[O-])=NC2=NC(C)=NN12)OC)OC 51711743 -S1C(C(C(C(=O)OCC)=NNC2C=CC(C)=CC=2)=O)=CC(C(C)=O)=C1NC1C=CC=CC=1 1734850 -S(C1=CC=CC(=C1)NC(C1=CC=CO1)=O)C(C(NC1=C(C(=O)OC)C(=CS1)C1C=CC(C)=CC=1)=O)C1C=CC=CC=1 18910408 -S(CCCC)CC(N1CCCC(C(=O)OCC)C1)=O 43406095 -FC(C1C=CC(=CC=1C#CC1=CC=CC=N1)C(N1CC2=C(C=CC=N2)C1)=O)(F)F 46946797 -OC(C1C=CC(C)=CC=1)(C1CC1)C1CC1 117036 -S1C(N/N=C/C2=CC=CO2)NC(C1CC(=O)O)=O 46368563 -ClC1=CC=CC(=C1)CS(N1CCC(C(N2CCCCCC2)=O)CC1)(=O)=O 17745984 -O=C(C1CCN(CC2=C(C)OC(C3C=CC(=C(C=3)OC)OC)=N2)CC1)N1CCN(CC2C=CC=CC=2)CC1 52071548 -O=C1C2=C(N=C(NC3C=CC(C)=CC=3)N2CCC(C)C)N(C)C(N1)=O 4337176 -O1C2C=CC(C)=CC=2C(C2=C1C(N(CCC1C=CC(=C(C=1)OC)OC)C2C1C=CC(=CC=1)OCCCCCC)=O)=O 44812501 -ClC1C=CC(=CC=1C)OCCOC1C=CC(=CC=1)/C=C1\C(N=C2N(C\1=N)C(=NS2)S(CC)(=O)=O)=O 46251968 -S1C(NC(C2C=CC=C(C=2)NS(CCC)(=O)=O)=O)=NC(=C1)CN1C[C@H](C)O[C@@H](C)C1 25335294 -ClC1C=CC(=C(C=1)NC(C[NH+](C)CC1C=CC(C)=CC=1)=O)N1C=NC=N1 9024652 -FC(OC1C=CC(=CC=1)C(N1CC(C(N[C@@H]2CCC[C@H]2OCC2C=CC=CC=2)=O)C2(CCNCC2)C1)=O)(F)F 44730455 -O(C(NC1C=CC=CC=1)=O)C(C)COC(C=C)=O 103527 -ClC1C=CC(=CC=1)CC(=O)OCC(NC1=C(C=CC(=C1)Cl)F)=O 7750132 -S1C=CC=C1C([C@H]1[C@H](C(C(C)(C)C)=O)N2C=CC3=CC=CC=C3[C@@H]2[C@]21C(NC1=CC=CC=C21)=O)=O 40907072 -O(CC)C(C(CC(C)C)O)(N)OC1C=CC=CC=1 23205636 -O=C(CN1CCN(C/C=C/C2C=CC=CC=2)CC1)N(C)CC1C=CC(=CC=1)OC 8621439 -O1N=C2C(C=CC3=C2C(=CN=N3)C)=[N+]1[O-] 6401665 -S(C)(C1=CC=CC=C1NC(CN[C@@H](C1C=CC(CCC)=CC=1)C(C)C)=O)(=O)=O 8971210 -ClCS(C1C=CC(=C(C=1)[N+](=O)[O-])OC1C=CC(=CC=1)N(C(=N)N)C(=N)N)(=O)=O 3044224 -ClC1=C(C=CC(=C1)/C=C1/C(N(C(=O)S/1)CC(N)=O)=O)OCC 49913124 -OCCC(CCC)CCCO 19746948 -S1C(C(NC2C=CC=C(C=2)F)=O)=NN=C1CCCC(NCC1C=CC(=CC=1)OCC)=O 46320455 -O(CC)C(C(C=O)CC1=CN=C(C=C1)OC)=O 12788663 -O=C1[C@H]2CCCN2C2C=CC(C(=O)O[C@H](C)C(NC3C=CC4=C(C=3)CCC4)=O)=CC=2N1 8299550 -O(CC(NNC(CCCCC)=O)=O)C1C=CC(=CC=1)C(C)(C)C 4955604 -FC1C=CC(=CC=1)C(C1=NC=CN1C)NC(C1C=NN(C=1)CC1C=CC=CC=1)=O 42921446 -ClC1=CC(=C(C=C1[N+](=O)[O-])O)Cl 181635 -OC(C1C2=CC=CC=C2N(C)C=1C1=CN=CC=C1)=O 17819927 -FC1C=C(C)C=CC=1NC(C1C=CC(=CC=1)NC(C1CCCN1C(C1CCN(C(C(NC2=CC=CC=C2C(N(C)C)=O)=O)C)CC1)=O)=O)=O 50736160 -ClC1=C(C=CC(=C1)NC(C(CCSC)NC(C1CCCCC1)=O)=O)F 15987930 -S1C=CN=C1[C@H]1CCCN1C(C1=CN(CCN2CCCCC2)N=N1)=O 42462263 -S1C=C(CSC2=NN=C(C3C=CC(C)=CC=3)N2N)N=C1N(C(C)=O)C1=CC=CC(C)=C1C 31987386 -S(C1C=CC(=CC=1)NC(COC(C1=C(C)ON=C1C1C=CC=CC=1)=O)=O)(N)(=O)=O 7235311 -O1C2C=C(C=CC=2CC(CC(=O)OCCCC)C1)NC(C1C=CC(=CC=1)/C=N/N1CCCCC1)=O 19698084 -ClC1=CC=CC=C1CNC(CN1C(=C(C2=NC(C3=CC=CC=C3C)=NO2)C(NCC)=N1)N)=O 30848678 -S(N(C)C)(N1C2=CC=CC(C)=C2N=C1N1C=C(C(=O)O)CC2=CC=CC=C12)(=O)=O 21743662 -O=C(C(CC(C)C)NC(C(C)NC(C(C(C)C)N)=O)=O)NC(C(=O)O)CCC(N)=O 20047067 -S=C(NC(C1C=C(C(=C(C=1)OC)OC)OC)=O)NC1=C(C=CC(=C1)C(C)CC)O 2904785 -ClC1=C(C=CC(=C1)[C@H]1CC(NC2=C1C([C@H](C(=O)OC)[C@@H](C)C2)=O)=O)Cl 11904768 -[Si](C)(C)(C)CCOCOC([C@H]([C@@H](C)OCC1C=CC=CC=1)NC(=O)OC(C)(C)C)=O 10527049 -O(C)C1C=CC(C(NN2C=NN=C2)=O)=CC=1[N+](=O)[O-] 718012 -BrC1=CC=CC(=C1)C(N1CCN(CC1)C(C)C1=NC2=CC=CC=C2C(N1C)=O)=O 42714375 -S1C(NC(C1=C1C(N(CC(=O)OCC)C2=CC=CC=C21)=O)=O)=S 23962900 -O=C1C(/C(=C(\C2C=CC(=CC=2)OC)/O)/C(C2=CC=CC=N2)N1CCCN(CC)CC)=O 6065246 -O(C1=CC=CC(CC)=C1)CCC[NH2+][C@@H](C)CC 2184599 -[Si](C)(C)([C@H]1[C@H](CC(N(CC2C=CC=CC=2)CCO)=O)O[C@@]2(C(N(CC3C=CC=CC=3)C3C=CC(=CC2=3)N2C=CC=C(C2=O)OC)=O)[C@@H]1C)O 24040951 -S(C1C=C(C)C=CC=1C)(=O)(=O)OC1C=CC(C(NC2=CC=CC(C#N)=C2)=O)=CC=1 26775647 -ClC1=CC=CC(=C1)[C@@H]1C(C(C2=CC=CS2)=O)=C(C(N1CCCOC)=O)O 7371723 -ClC1=CC=C(C(NC2C=CC(=CC=2)CC(N2CCCC2)=O)=O)S1 40291383 -ClC1C=CC(=CC=1)C1=NOC(CN2CCN(C(C3C=CC4C=CNC=4C=3)=O)CC2)=N1 51657956 -O(C1C=C(C(N(CC(=O)O)CC(=O)O)=O)C=C(C=1)OC(NCCCCCCCCCC)=O)C(NCCCCCCCCCC)=O 19091772 -OC1C(CC2C1(C)CCC1C3(C)CC(C(CC3CCC12)OC(C)=O)N1CCCCC1)N1CCCCC1 19936337 -BrC1C=CC2=C(C=1)[C@H](C(N2C1CCCC1)=O)[NH3+] 51441531 -[Si](C)(C)(CCNC(C1=CC=CC(C(CC2C=CC(=CC=2)OC2C=CC(=CC=2)NC(C2C=CC(=CC=2)CC)=O)=O)=C1)=O)CC(C)(C)CCNC 18346339 -S1C(/C=N\NC(CC2=NC(C)=CS2)=O)=CN=C1N(CC)CC 9030033 -OC(N1C(C(=O)O)=CC2C=C(C)C=NC1=2)=O 18455978 -O1C2=CC=CC=C2CN(CC2C=CC=C(C=2O)OC)CC1C 45186893 -O1CCC[C@@H]1CN1C=CC2=C(C=NC3=NC(C4C=CC(=CC=4)OC)=NN23)C1=O 25845230 -O1C2=CC=CC=C2OC(C)C1C(N1CCC(C(=O)OC)CC1)=O 51305098 -O(C(NC(C(=O)OCC)CC1C=CC(C#N)=CC=1)=O)C(C)(C)C 22959512 -S(C1C=CC(=C(C=1)C(NCCC12CC3CC(CC(C3)C1)C2)=O)OC)(N)(=O)=O 26878701 -S1C2C(N(C=NC=2N=C1N1CCCCC1)CC(N1CCN(C2C=CC(=CC=2)F)CC1)=O)=O 50785042 -BrC1C=CC(=C(C=NNC(CNC(C2=CC=CS2)=O)=O)C=1)OCC1C=CC=CC=1 1905272 -BrC1=CC=CC=C1C(N(C)CC1=NC(C2C=CC(C)=CC=2)=NO1)=O 8835882 -ClC1=CC(C)=CC2=C1NC=C2CCCN 5213624 -FC(C(C1C=CC=CC=1)=O)(C(C(F)(F)F)(F)F)F 238424 -ClC1C=C(C=CC=1C1C(N(C(C2C=CC(=C(C=2)OC)OC)=O)C2(CCCCCC2)N=1)=S)Cl 22428967 -O(CCC(C)C)[C@@H](C)C(N1CCC[C@H]1C1=NC2=CC=CC=C2N1CC)=O 52851733 -O(C(N/N=C(/C1C=CC=CC=1)\C(\C1C=CC=CC=1)=N/NC(=O)OC(C)(C)C)=O)C(C)(C)C 27060318 -O(CC(NC1=CC=CC=C1C(NCC(C)C)=O)=O)C1C=CC(CC=C)=CC=1OC 45769594 -ClC1C=C(C=C(C=1)OS(C1C=CC(=CC=1)OC)(=O)=O)Cl 26944214 -O1C(CCC(NC2C=CC(=CC=2)OC)=O)=NC(C2=CC=CC=C2OC)=N1 1950668 -BrC1C=CC(=CC=1)C=NNC(CN(C1CCCCC1)S(C)(=O)=O)=O 4239091 -O1C(/C(=C/C2C=CC(=C(C=2)OC)OC(C2C=CC(C)=CC=2)=O)/N=C1C1C=CC(C)=CC=1)=O 19662190 -ClC1C=CC(=CC=1NC(C1CCCN1C(C1CCN(CC(NC2=C(C)C=CC(=C2)C(NC2CCCC2)=O)=O)CC1)=O)=O)C(N1CCC(C)CC1)=O 49983903 -S(C(C(=O)OCCCCCCCC)CC(=O)OCCCCCCCC)(=O)(=O)O 15426 -Cl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-ClC1C=CC=NC=1N1CCN(C(NC2=NC3C=C(C=CC=3N2C)C(C)(C)C)=O)[C@H](C)C1 10003406 -ClC1=C(C)C=CC(=C1NC1=CC=CC=C1C1=NN=C(O1)SC)Cl 19375701 -O(CC)CCN1C2=C(C=CC=N2)N=C1CCCN(CC=C)CC=C 14855698 -O=C1C(C(NC(N1C1=CC=CC=C1C)=O)=O)=CC1C=C(C)N(C2=CC=CC=C2C(=O)O)C=1C 4832488 -O=C([C@@H](C1C(=CC(=CC=1O)O)O)N(C(C1=C(C=CC(=C1)[N+](=O)[O-])[O-])=O)CCC)NC(C)(C)C 51809543 -S=P(O)(O)OC[C@H](CCCCN)N.O.O 21140870 -S(CC(N)=O)C1=CC=CC=C1C(N1CCN(C(C2C=CC=CC=2)=O)CC1)=O 40042057 -O=C1CC(C)(C2=CC=CC(C3C=CC=C(C=3)OC)=C2)N=C(N)N1 11522437 -O=C(C1CCN(C2C=CC(C3C=CC4=C(C=3)OCO4)=NN=2)CC1)NCC1C=CC=C(C=1)OCC 52056227 -ClC1C=CC(=CC=1)NC([C@@H]1C2C3=CC=CC=C3C(C3=CC=CC=C23)[C@@H]1C)=O 1036092 -S1C=CC=C1CCNC1=NN=C(S1)SCC(N(C)CC1C=CC(=CC=1)F)=O 16576770 -O=C([C@@H](C1C=CC=CC=1)CC)NCCCCN1CCN(CC2C=CC=CC=2)CC1 52711147 -FC1C=CC(=C2C=1NC1=C(C2=O)CN(CC(NC2C=CC(=C(C)C=2)F)=O)CC1)F 49659447 -BrC1C=CC(=CC=1)OC(C(N/N=C/C1C=CC(=C(C=1)OC)OC(C1C=CC(=C(C=1)Cl)Cl)=O)=O)C 9668484 -O(C(C)(C)C)C(N1CCN(C2C=CC(CO)=CC=2)CC1)=O 2795510 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-ClC1C=C(C=CC=1CN(CC1=CC=CO1)CC(COC1=CC=CC(C)=C1)O)Cl 24221117 -S1C(C)=NN=C1NC(/C=C/C1=CC=CC2C=CC=NC=21)=O 18144924 -OC(C)CC(CCCCCCC)N 18944823 -BrC1=CC=CC=C1N1C(C[C@@H](C(N2CCN(C3N=CC=CN=3)CC2)=O)C1)=O 40026313 -FC([C@]1(CC(CC)=NN1C(C1C=CC=C(C=1)O)=O)O)(F)F 829893 -S1C=C(C(NCC2C=C(C=CC=2F)F)=O)N=C1C(C)N 3809689 -ClC1C=C2C(=CC=1OCC1=NN=C3N(C)C(C4=CC=CC=C4N31)=O)OC(C=C2C1C=CC=CC=1)=O 24578326 -O(C)C1C=C(C=CC=1C1C=CC(=CC=1OC)N1N=C(C2C=CC=CC=2)N=[N+]1C1C=CC(=CC=1)[N+](=O)[O-])N1N=C(C2C=CC=CC=2)N=[N+]1C1C=CC(=CC=1)[N+](=O)[O-] 10190972 -IC1C(NC(C)=C(C=1OC1C=C(C)C=C(C)C=1)CCO)=O 10046453 -OCCN(C)C1C=CC(=C2C=CC=NC=12)N 43450228 -S1C(C(=O)OCC)=C(C)C2C=C(C(C3C=C(C=CC=3O)F)=O)C=NC1=2 4884019 -ClC1C=CC(=C(C=1)NC(C(C)NC(C1CCN(CC(NC2C=C(C(NC3C=C(C=CC=3F)F)=O)C=CC=2C)=O)CC1)=O)=O)C(NC1CCCC1)=O 50030461 -ClC1=C(C=CC(=O)OC2C(CCCC2)=O)C(C)=NN1CC1=CC=CC=C1Cl 5214568 -ClC1C=CC(C(NCC(C)C)=O)=CC=1NC(CCNC(C1CCN(C(C(NC2=CC=CC(=C2C)C(N2CCCC(C)C2)=O)=O)C)CC1)=O)=O 50361514 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-[Si](C)(C)(C(C)(C)C)O[C@H]1CC[C@@]2(C)C3C(C(C)(C)C[C@@H]3C[C@]21C)=O 11681834 -O1C(C2C=CC(=CC=2)O)=C(C(C2C=CC=C(C=2)OCCN(C)C)=O)/C(=C2\C=CC(C=C\2)=O)/N1 22554966 -O(C(C1C=CC(=C(C=1)[N+](=O)[O-])N(C)C)=O)CC1=CC(=O)OC2C=C(C=CC1=2)OC 7261793 -O=C(C[NH+]1CCN(C2C=CC(=C3C=NC=CC=23)[N+](=O)[O-])CC1)NC1=CC=CC=C1OC 42007665 -S(C1=CC=CC=C1NN)(NC1CCCC1)(=O)=O 43454957 -C1(C2C=CC(C#CC3C=CC(C)=CC=3)=CC=2)CCC(C)CC1 20580000 -BrC1C=C(C(N(C)C2C=CC=CC=2)=O)N(C=1)CCC 43640648 -S(CC1=NN=C(C2=CC=CO2)O1)C1=NN=C(C2C=CC(=CC=2)OC)N1C 7870032 -FC1C=C(C=C(C=1C(C)NCC)F)F 43490367 -OC(/C=C/C(=O)O)=O.N1CCC(CCC2=CN(C3C=CC=CC=3)C3=CC=CC=C23)CC1 46905305 -O1COC2C=CC(=CC1=2)C1=CN=C(C(C(C)C)N)N1 43651339 -S1(CC[C@H](C1)N1C(CCC(C(NC2=C(C(=O)OC)C=CS2)=O)=N1)=O)(=O)=O 52659250 -O1[C@H](CO)[C@@H]([C@@H]([C@H]([C@@H]1N(C(CCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCC)NC([C@H](C)N)=O)O)O 18633963 -ClC1=C(C(NC(NC2=CC=CC=C2C(=O)O)=S)=O)SC2C=C(C=CC=21)Cl 3926370 -S1C(CC)=C(C)C=C1C(N1CCN(C(C2C=CC(=CC=2)OC)=O)CC1)=O 46578699 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42910141 -ClC1=C(C=CC(=C1)C(C)NC(COC1C=CC(C(C)=O)=CC=1OC)=O)Cl 45721693 -ClC1C=C(C=C(C(=O)O)C=1)Cl 5811 -S1C(CC)=NN2C1=NC(=CC2=O)C[NH+]1CC[NH+](CC2C=C(C=CC=2OC)F)CC1 8972421 -O(CC(C1C=C(C=CC=1OC)OC)=O)C(C1C=CC2=C(C=1)CCC(N2)=O)=O 18101163 -O=C(C[C@H](CC[C@@H](CO)N)N)N(C)C1C(NC(NC(N)=O)=NC1)=O 44460935 -O1C(C(CC/C=C(\C)/C)=C2[C@@H](C=C(C)C[C@H]12)O)=O 354258 -O=C1C[C@@H](C(=O)O)CN1C1=CC=CC=C1CC 776709 -O=C(C1C2=C(CC[C@H](C2)NCC2=CC=CC(C)=C2)N(CC(C)C)N=1)N(C)C 26140200 -ClC1=CC=CC(=C1)C(NC1C=CC(=CC=1)NC(C1CCCN1C(C1CCN(C(C(NC2=CC=CC(C(NC(C)CC)=O)=C2C)=O)C)CC1)=O)=O)=O 50394641 -O=C(CCN1C(C)=C(C(C)=N1)[N+](=O)[O-])N(C)[C@@H](C)CCC 52865648 -FC1C=CC(=CC=1)CC(N1CCCC1OC(NC(C#N)C1C=CC(=C(C=1)OC)OC)=O)=O 17979654 -ClC1C(C)=NN(C)C=1C(NC(NC1=C(C(=O)OC)C2=C(CCCCC2)S1)=S)=O 995922 -O1[C@@H](C)CN(CCCOC2C=CC(C)=CC=2OC)C[C@@H]1C 2183654 -ClC1C=CC(=CC=1)CN1C2C(=NC=CC=2C2CCCC(C)(CC(=O)O)C1=2)S(C)(=O)=O 11190062 -FC1CC2(C)C(CCC2C2CCC3=CC(CCC3(C)C21)=O)OC(CC)=O 21525165 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-[Si](C1C=CC(=CC=1)OC)(C)(C)[C@@H]1[C@@H](CC(N(CC2C=CC=CC=2)CCO)=O)O[C@]2(C(N(CC3C=CC(=CC=3)N3C(C4=CC=CC=C4C=N3)=O)C3C=CC(=CC2=3)[N+](=O)[O-])=O)[C@H]1C 23873350 -O(CC(NC1C=CC(C(NC)=O)=CC=1)=O)C1C=CC(C)=C2C=1C(C[C@@H]2C)=O 26065428 -O(C1C=CC(=CC=1)OC)C1C=CC(=CC=1C(NC1=CC=CC(=C1)NC(C1=CC=CO1)=O)=O)[N+](=O)[O-] 40163606 -O=C([C@H](C1C=CC=CC=1)CC)N(CC1C=C(C=CC=1N(C)C)NC(CC)=O)C(C)C 8058465 -FC1C=CC(=CC=1)OCCN(C)C1C=CC(=CC=1)N 28294629 -P12(=CC(C3C=CC=CC=3)=NN1C(C)=O)C1(C3=CC=CC=C3C3=CC=CC=C13)P1(=CC(C3C=CC=CC=3)=NN1C(C)=O)C1(C3=CC=CC=C3C3=CC=CC=C13)P1(=CC(C3C=CC=CC=3)=NN1C(C)=O)C12C2=CC=CC=C2C2=CC=CC=C12 16156310 -ClC1C=C(COC(C2C=CC(=CC=2F)OC)=O)C2=C(C=1)COCO2 7490898 -O1CC(N)=NC2C=CC(=C(CC)C1=2)[N+](=O)[O-] 20557467 -O(C(=C)C1=CN=CN=C1)CC 45080121 -ClC1C=C(C=CC=1C)NC(C1=CC=C(C#CC(C)(C)O)S1)=O 1506990 -ClC1C=CC(=CC=1)N1C(=CC(C(C)(C)C)=N1)NC(CN(C(C1C=CC(=CC=1)C(C)(C)C)=O)CC(C)C)=O 3948148 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-[Na+].O(CC1C=CC2=CC=CC=C2N=1)C1C=CC(=CC=1)C(C)(C1C=CC(=CC=1)OCC1C=CC2=CC=CC=C2N=1)CCC(=O)[O-] 23690851 -IC1C=CC(=CC=1C(NC1C=C(C(=O)OCC)C=CC=1N1CCN(CC)CC1)=O)I 43913811 -S(C1C=CC(=CC=1N)OC)(NC1C=CC(CC(=O)OC)=CC=1)(=O)=O 19872534 -FC1C(=C(C=CC=1NC([C@@H](C)N1CCN(CC(NC)=O)CC1)=O)F)F 8774552 -Cl.Cl.O(C1=CC=CC(=C1/C=C/C1C=CC=CC=1)OC)CCCCN1CCN(C)CC1 49861113 -P(CCCCCCCCCCCCCCCC)(=O)(OC)OC 362904 -S=C(NC1=CC=CC(C)=C1C(C)C)N(CC1C=CC(=CC=1)F)C1CC(C)(C)NC(C)(C)C1 17382513 -BrC1=CC=CC=C1C(NNC(C1=CC=CC=C1F)=O)=O 5181398 -[Si](C)(C)(C(C)(C)C)O[C@H]1CC[C@@]2(C)CC[C@@H](C(=O)OC(C)(C)C)[C@](C1)(OC(C)=O)O2 11396601 -S1C2C(=C(N=C(N=2)SC(C)C)N[C@@H](CO)CC)C2=C1COC(C)(C)C2 7707471 -S(C)C1NC(CC2C=CC=CC=2)C(C(C(CC2C=CC=CC=2)N1CC1C=CC=CC=1)OCOCCOC)OCOCCOC 22088932 -O(CC)C(C1=CC=CC=C1CC(=O)O)=O 12371756 -ClC1C=C(C=CC=1C(C)NC(C(C)SC1=NNC(N1CCC1C=CC=CC=1)=O)=O)Cl 42988643 -OC(CCC)CCCCCCC(=O)OCC 19069495 -O=C([C@H]1CCCC[C@@H]1C(=O)O)NC[C@H](C)C1C=CC=CC=1 6595752 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-ClC1C=CC(=CC=1)C(NC1=NC(=C(C)S1)C1C=CC(C)=CC=1)=O 19172940 -S1C(C)=C(C)C2C(=C(C(=O)OCC)N(CC(NC3=CC=CC=C3CC)=O)C1=2)NC(C)=O 20909601 -BrC(C1C=CC=C(C=1)[N+](=O)[O-])CCC(=O)OCC 19369564 -O1C(C)C(C(C2C1COC(C1C=CC=CC=1)O2)OCC1C=CC2=CC=CC=C2C=1)O 23394526 -O1C2=CC=CC=C2C(CC1)NC1C2=CC=CC=C2N=C(C2=CN=CC=C2)N=1 16375891 -ClC1C=CC2=C(C=1)C=C(C(NC1C=CC(=CC=1C)[N+](=O)[O-])=O)O2 19240991 -S(CC(N[C@@](C#N)(C)C(C)C)=O)C1=NC(C)=C(C)N1CC(C)C 8012666 -O(C)C1C=CC(=CC=1)CN(C1=NC=C(C(=N1)NC1CC1)[N+](=O)[O-])C1CC1 32799882 -S1C=CC=C1C(N1CCN(C(C)=O)[C@@H](C(=O)OC)C1)=O 11865634 -O=C(C(CC1=CNC2=CC=CC=C12)NC(C(CC(N)=O)NC(C(CO)N)=O)=O)NC(C(=O)O)CCC(=O)O 20018554 -O(C)C1C=CC(C(NC2=NNC(C(=O)OC)=N2)=O)=CC=1 24131558 -S1C2=C(N=CN2C=C1C1=C(C(=O)OCC2C=CC(=CC=2)[N+](=O)[O-])N2C(C(C(C)O)C2C1)=O)S(N(C)C)(=O)=O 18418341 -ClC1C=CC(C(NC)=O)=CC=1NC(CN1CCC(C(N2CCCC2C(NC2C=CC(=C(C=2)OC)NC(C2C=CC(=CC=2)F)=O)=O)=O)CC1)=O 50716823 -S(C1C=CC(C)=CC=1)(CCC(N(C1=NC2=CC(C)=CC(C)=C2S1)CC[NH+](C)C)=O)(=O)=O 41046267 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-O(C(C1=CC=CC=C1CC1C=CC=CC=1)=O)CC(C1=C(C)NC2=CC=CC=C12)=O 7809460 -O=C(COC1C=CC=CC=1)N(CC1C(N=C2C=C(C=CC2=C1)OC)=O)C1CCCCC1 45027538 -O(C1C=CC(=CC=1)OCC(=O)OC1C=CC(=CC=1)C(C1C=CC=CC=1)=O)CC(CC)CCCC 18823992 -S=C1N=C(/C=C/C2=CC=C(C)O2)NN1C[NH+]1CCC[C@@H](C)C1 25983904 -S(C1C(C)=NN(C2C=CC=CC=2)C=1C)(NC1C=CC(=CC=1)CN1C(C)=CC(C)=N1)(=O)=O 22205138 -S(CC1C(C)=NC2=CC=CC=C2N=1)C1=NN(C2C=CC=CC=2)C(C2CC2)=N1 45715135 -[Si]1(CCCCO1)OCCCCC |^1:0| 22160725 -S1C=CC=C1C(N1CCC[C@H](C1)C(N(CC1C=CC(=CC=1)OC)C1CC1)=O)=O 30785616 -S(C1=NC2C=CC(=CC=2S1)NC(CSCC(NC1=CC=CC=N1)=O)=O)CCC(C)(C)OC 3749022 -FC(OC1C=CC(/C=C(\C#N)/C2C=CC(=CC=2)[N+](=O)[O-])=CC=1OCC)F 8855583 -O(C)C1=CC=CC(=C1)C(C1C=CC2=CC=CC=C2C=1)N1CCNC(C)C1 20612343 -O1C(C2=CC=CC=C2C1N1C(CCC1C(NCCC1=CNC2=CC=CC=C12)=O)=O)=O 3776220 -O(C1C=C(C)C=CC=1[N+](=O)[O-])C(CCN1C(C2=CC=CC=C2C1=O)=O)=O 8179064 -BrC1=CC=CC=C1NC(C)C1C=CC(=CC=1)C(C)(C)C 43098228 -O(C)C(C(C(C#C)(C)C)N)=O 45082149 -O=C(CN1N=NC(C2C=CC(C)=CC=2)=N1)NC1C=CC(=CC=1)[C@@H](C)CC 7465720 -[O-][N+](C(CCC(=O)O)C(C1C=CC(=CC=1)OC)CC(=O)O)=O 23324909 -N1C(C2C=CC=CC=2)=C2C(C3C=CC=CC=3)=NN=C(C3C=CC=CC=3)C2=C1C1C=CC=CC=1 6174233 -ClC1=CC=CC=C1NC1=C(C(=NC=N1)NC1=CC=CC2=CC=CC=C12)[N+](=O)[O-] 22527523 -O=C(C(C)C1C=CC=CC=1)N(C)C1CCN(CCC(C2C=CC=CC=2)C2C=CC=CC=2)CC1 44392160 -O(C([C@H](C1C=CC=CC=1)CC)=O)CC(N[C@H]1CCCC[C@@H]1C)=O 6600559 -N1(CC(C)NC(C)C1)C(CC)CC 20735167 -ClC1C=C2C=C(C3=N[C@@H](CS3)CCCO)NC2=C(C=1)NC1CCOCC1 25195828 -ClC1C=C(C=CC=1[C@@]1(C)C(N(CC(NC2C=CC(C)=C(C=2)[N+](=O)[O-])=O)C(N1)=O)=O)Cl 2703062 -S(CC(NNC(C1=CC=CO1)=O)=O)C1=NN=C(C2=CN=CC=C2)N1C1=CC=CC=C1C 43812956 -ClC1C=CC(=CC=1)CC1C(N=C(NN=1)SCC(NC1=NC=CS1)=O)=O 7527673 -O(C(C1=CC=CC2C(C(C)=C(C3C=CC=CC=3)OC1=2)=O)=O)CCN1CCN(C2=CC=CC=C2OC)CC1 19972576 -ClC1C=CC=C(C=1C1=NC(=CS1)CC(=O)OCC(NCC(C)C)=O)Cl 7712959 -S(C)CC[C@@H](C(N1CC2C=C(C=CC=2CC1)OCC)=O)NC(C1=CC=CO1)=O 52793155 -O=C1C(C)(C)N(C(COC(/C=C/C2=CC=CC3C=CC=NC2=3)=O)=O)C2=CC=CC=C2N1 16608050 -S1C=NC(=C1)C1=C(C(F)(F)F)NC(C)=NC1=C1C=CC(=CC1=O)OC 6798202 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-O=C(CN(C(/C=C/C1C=CC(=CC=1)[N+](=O)[O-])=O)C(C)C)N1C2=CC=CC=C2N2C=CC=C2C1C1C=CC(C)=CC=1 5857382 -O=C(C(CC1=CNC2=CC=CC=C12)NC(C(C)N)=O)NC(CC(=O)O)C(NC(C(=O)O)CC(C)C)=O 18239398 -O1C(CCC2C=CC=CC=2)OC(C)C1C 229147 -FC1C=CC(=CC=1)C[NH2+][C@@H](C(NC1C=C(C)ON=1)=O)C 7437196 -FC1=CC=CC=C1C[NH+]1CCC[C@@H](CN(C(CCC2C(C)=NOC=2C)=O)CC[NH+](C)C)C1 42382215 -O=C(C=CC1=CN=C(N=C1OC)OC)N1CCC2(CCN(C(C#CC3C=CC=CC=3)=O)CC2)C1 3775755 -S1C(C(NNC(C2CCN(C(C)=O)CC2)=O)=O)=CC2=C1CC[C@@H](C2)C(C)(C)C 31542064 -OC(C(C(N(C)O)=O)(C)C1C=CC=CC=1)=O 21795957 -S1C(=NN=C1N1C(C(C(=C(C2C=CN=CC=2)O)C1C1C=CC(=C(C=1)OCC)OCC=C)=O)=O)SCC1C=CC(=CC=1)F 3271254 -FC1C(=C(C(=C2C(C(C(=O)OCC)=CN(C3=C(C=C(C(NCC4C=CC(=CC=4)OC)=N3)F)F)C2=1)=O)NCC1C=CC=CC=1)F)F 22121197 -ClC1=C(C=CC(=C1)C1N(C(CS1)=O)CC1C=CC(=CC=1)N(C)C)F 4998179 -ClC1C2C=CC(=CC=2SC=1C(N1CCN(CC(NC2=C(C(=O)OC)C=CS2)=O)CC1)=O)Cl 17378476 -OC1=C(C(NC2C=CC=CC=2)=O)C(C2=CC=CC=C2N1CC=C)=O 748846 -ClC1C=CC(=CC=1)C12C(N(C(C1CC1C(=CCC3C(N(C4C=CC(C=C)=CC=4)C(C13)=O)=O)C2C1C=C(C=CC=1O)OC)=O)NC1C=CC(=CC=1)F)=O 5086414 -BrC1C=CC(=CC=1)OC1C=CC(=C(N=1)OCC(C)C)N 43262057 -O=C(C(NNC(C1C=CC=CC=1)=O)=O)C1=CNC2=CC=CC=C21 2716309 -BrC1=C(C=CC(=C1)/C=C1\C(N(C2=CC=CC=C2S\1)CC(N1CCN(C2=CC=CC=N2)CC1)=O)=O)OC 46373373 -IC1=CC(CO)=CC(=C1O[C@H]1C=C(C(NCCO)=O)C[C@H]([C@@H]1O)NCC1C=CC(C)=CC=1)OC 6717376 -O=C(C1=CN(C2C=CC=CC=2)N=C1C1C=CC=CC=1)NC[C@@H](C1C=CC(=CC=1)OC)N(C)C 2475112 -FC1C=CC(=CC=1)[C@H](CN1CCOCC1)[C@@](C1C=CC(=CC=1)OCC)(CC1C=CC=CC=1)O 34581713 -FC(C(N1C2C=CC(C)=CC=2[C@@H]2C[NH+](C)CC[C@H]12)=O)(F)F 11861540 -S1C(N(C)C2=C1[C@@H](C1=CC(=C(C=C1OC)OC)OC)CC(N2C1C=CC=CC=1)=O)=O 52321312 -FC1C=CC(=CC=1)[C@@H](C1=NC=CN1C)NC([C@@H]1CC(N(CC2=CC=CO2)C1)=O)=O 30098077 -S(C1=CC=CS1)(N[C@H]1CCN(C(C2=CSC(C)=N2)=O)[C@H](C(NCCC(=O)OC)=O)C1)(=O)=O 40475116 -S(C1C=CC2=C(C=1)CCCC2)(NCCC(=O)OCC(C1C=CC(=CC=1)F)=O)(=O)=O 7829801 -FC1C(NC(N(C=1)[C@@H]1C=C(CO)C([C@@H]1O)O)=O)=O 44351983 -[Si](/C=C/COCC1C=CC=CC=1)(C)(C)C 10966057 -S1C(=C(C(NCC2=CN=CC=C2)=O)C2=C1CCCC2)NC(C1=C(C2C=CC=CC=2)SC(C)=N1)=O 43854751 -SC(CC1=CNC2=CC=CC=C12)=O 11830245 -S1C2=CC=CC=C2NC([C@H]1CC(=O)OCC1=CSC(C2C=CC=C(C=2OC)OC)=N1)=O 51507431 -ClC1C=CC(=CC=1C(=O)OC)NC(C1CN(C2=CC=CC=C2O1)S(CC1C=CC=CC=1)(=O)=O)=O 17619849 -ClC1C=CC2=NC(C3C=CC=C(C=3)[N+](=O)[O-])=C(C#N)N2C=1 28325740 -O=C(C1C=CC(/C=C/C(NC2C=CC(C(N)=O)=CC=2)=O)=CC=1)NC1CC1 35504004 -S1C2=NC(COC(C3C=CC=C(C=3)NC(C)=O)=O)=CC(N2N=C1CCCC)=O 20953073 -O1C2(C3=CC=CC=C3OCC2)N2C(/C(=C/C3C=CC(=C(C=3)OC)N3C=NC(C)=C3)/CCC2)=N1 25145701 -O=C1NN=C(C)C(=N1)NCCN1CC[NH2+]CC1 28359127 -ClC1C=CC2=C(C=1)SC(=N2)N1C(C(/C(=C(\C2C=CC(=CC=2)Cl)/O)/C1C1C=CC=CC=1)=O)=O 6118356 -BrC1C=CC(=CC=1)C(C)NC1C=C(C=CC=1OC)[N+](=O)[O-] 43717761 -O=C1C(CCC(C)CN1CC1=CC=CC1(C)C)NC 20589755 -ClC1C(=CC=CC=1NC(CCNC(C1CCN(C(C(NC2C=CC(C(NCCC)=O)=CC=2C)=O)C)CC1)=O)=O)Cl 50159358 -ClC1C=CC(=C(C=1)C(N1CCC(C)CC1)=O)NC(C(C(C)C)NC(C1CCN(CC(NC2C=CC(C(NC3C=CC(=CC=3F)F)=O)=CC=2C)=O)CC1)=O)=O 50239726 -S(C1C=CC(=C(C=1)NS(C1C=CC(C(=O)O)=CC=1)(=O)=O)O)(NC1C=CC(=CC=1)OC)(=O)=O 45407727 -FC1C(=C(C=CC=1NC(CNC([C@H](C)OC(C1C=CC(C)=CC=1O)=O)=O)=O)F)F 40910295 -O1CCN(CC2=C(C(NN/C=C3\C=CC=C(C\3=O)OC)=O)N(C3C(N)=NON=3)N=N2)CC1 44726548 -S=C(NC1C=CC(C(C)=O)=CC=1)N1CCC[C@@H](CO)C1 714769 -O=C(C1=CC(C2=CN=CC=C2)=NC2=C(C)C=CC=C12)NC1CCN(CC2C=CC=CC=2)CC1 1532266 -S(C1=CC=CC(C(=O)OCCCN2C(NC3=CC=CC=C23)=O)=C1)(N1C2=CC=CC=C2CC1C)(=O)=O 16527100 -ClC1=C(C=CC(=C1)C(N1CCN(C2C=CC(=CC=2)OC)CC1)=O)Cl 1313609 -O[C@@]1(C#C)CCC2C3CC(C4=CC(CC[C@]4(C)C3CC[C@@]21C)=O)=O 16627192 -S1C2C=C(C=CC=2N=C1N(C(C1C(=CC2=CC=CC=C2C=1)OC)=O)CCN1C=CC=N1)OC 30461264 -S1C2CC3CC1C(C(C2)C3)O 598357 -O(C(=O)O)C1C=CC2=C(C=1)C1(C)CCN(C)C1N2C 22157099 -S(C1=CC=CC=C1C(=O)OCCOC1C=CC(=CC=1)OC)(N1CCCCC1)(=O)=O 17467230 -O1C(=C(C([C@H]1[C@H](CO)O)=O)OC(C)=O)O 18644125 -O1CC(N(CC)C2C=C(C=CC1=2)NC(COC1C=CC=CC=1)=O)=O 24302508 -S(C1C=CC2=C(C=1)CCC2)(NNS(C1C=CC(C)=CC=1)(=O)=O)(=O)=O 8500693 -ClC1=CC=CC2=C1OC(=C2C)C(N(C1C(NC(N(CC2C=CC=CC=2)C=1N)=O)=O)CCCOC)=O 16548962 -BrCCCN1C2=CC=CC=C2N(C)C(C2=CCC(C)C(C)=C12)=O 22742449 -O1C2=C(C=CC3C[C@@H]4[C@@]5(C=C[C@@H]([C@H]1[C@@]5(C=32)CCN4C)N[C@H](C(=O)O)C)OC)O 10992669 -O1C(C2=CC=CO2)=NN=C1C[NH2+][C@H](C1C=CC=CC=1)C1C=CC(C)=CC=1 8640054 -O=C1C(/C=[NH+]/C(C)C)=CC2=CC=CC(C)=C2N1 40565409 -BrC1=CC=C(C2C1=NSN=2)S(NC1C=CC(=CC=1C(=O)O)Br)(=O)=O 1092380 -BrC1C=CC2=C(C=1)C(C1=C(C(N(C3=NC(C)=C(C(=O)OCC=C)S3)C1C1C=CC=C(C=1)OCC)=O)O2)=O 4707793 -OC([C@](C)(CC1C=CC2=C(C=1)CCN2)N[2H])=O 22800849 -ClC1C=C(C=C(C=1)OC(C(=O)[O-])OC)Cl.[Na+] 23700729 -S(C1C=C(C=CC=1C)NC(COC(C(C)C)=O)=O)(NC)(=O)=O 8226558 -O(CC(NC1C=CC(C)=CC=1C)=O)C(CCC1C=CC(=CC=1)OC)=O 8309203 -[Si](CC)(CC)(CC)O[C@H](C[C@H](C[C@@H]1CCC[C@H](C(C(=O)OCC2C=CC=CC=2)(C)C)O1)OCC1C=CC=CC=1)[C@@H](C)CC[C@H](CCCC=O)O[Si](CC)(CC)CC 11170351 -S(C1C=CC(=CC=1)F)(NCCCO)(=O)=O 4215752 -FC(C1=CC=CC(=C1)C1=CN=C(C2CCC(CNC(CCCO)=O)CC2)N1)(F)F 22175049 -O=C(C1CCN(C(C(NC2=CC=CC(=C2C)C(NC2CCCCC2C)=O)=O)C)CC1)N1CCCC1C(NC1=C(C)C=CC=C1C(NC1CCCCC1C)=O)=O 50368410 -ClC1C=CC(=CC=1)CN1CCC(C(=O)OCCCC)(CC1)N.OC(C(=O)O)=O 3044657 -S1N=C2C=CC3C(C2=N1)=NC=C(C(=O)OCC)C=3NCCC(=O)O 916166 -S(=O)(ON)ON.O 45051914 -O=C(C(C(=O)O)(CC)CC)NCC1C=CC=CC=1 18971285 -S(C1C=CC(=CC=1)O)(=O)(=O)O.O1CCN(CC1)[C@H](C1C=CC=CC=1)C[C@H](C1C=CC=CC=1)OCC 44888643 -ClC1C=CC(=CC=1)NC(COC(C1=CC=CC=C1OCC)=O)=O 7992445 -ClC1=C(C=C2C(=C1CSC)N=C(C(=N2)OC)OC)Cl 22097045 -BrC1CC23C(C(N(CC=C)C4CCCCC4)=O)N(CCCCCO)C([C@@H]2[C@@H](C(=O)OCCCC=C)[C@@H]1S3)=O 23979672 -FC1=CC=CC(=C1)C(NC1C=CC(=CC=1)C1=C(N(C2C=CC(C)=CC=2)N=C1CC(C)C)OC(C)=O)=O 46013362 -[I-].[I-].O=C(C1C=C/C(=C\[NH+]=O)/N(C)C=1)NCC[N+](C)(C)C 44659640 -O=C(C1=CC(C)=C(C#CCN(C)C2C=CC(C#N)=CC=2)C=C1C)N(C)C1C=CC=CC=1 18405107 -ClC1C=CC2C(N=C(/C(/C#N)=C/C3C=CC(=CC=3)OC)NC=2C=1)=O 6259150 -S(CC(NC1=NC(=CS1)C1C=C(C=CC=1OC)OC)=O)C1=NN=C(C2C=CN=CC=2)N1C1CC1 16380947 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-Cl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i](C=C)(OC(C)CCO)(OC(C)CCO)OC(C)CCO 20529891 -S(C1C=CC(=CC=1N1C(C=C(C(N)=O)N1)=O)S(=O)(=O)O)(=O)(=O)O 19046835 -O1C(C2=CC(N(CC(NC3C=C(C)ON=3)=O)C3=CC=CC=C32)=O)=NC(C(C)C)=N1 51369403 -O1CC2C(C3C=CC(=C(C=3)O)OC)OCC2C1C1C=CC(=C(C=1)O)OC 5315958 -S(C)(NC1=CC=CC=C1C(NC1=CC=CC=C1C(NC(C)CC)=O)=O)(=O)=O 2980194 -P(C1CC2=C(C)ON=C2C(N1)=O)(=O)(O)O 10399028 -S(C(N)=O)[N+]1(CC2C=CC(=CC=2)OC2C=CC=CC=2)C(CCC1)=O 17817515 -C12CCC1CC2CCC 18000498 -ClC1C=CC2=C(C=1C)N=C(NNC(C1=CC=CC=C1SC)=O)S2 7600242 -ClC1C(=CC=CC=1NC(C1CC2=CC=CC=C2C(=O)O1)=O)Cl 51176586 -O=C(C1=C(C)C(C(C)=O)=C(C)N1)NCC(C)(C1C=CC=CC=1)C1C=CC=CC=1 31797979 -O1CCCC[C@@H](C)OC2C=CC(=CC=2C(N([C@H](C)CO)C[C@H](C)[C@@H]1CN(C)CC1C=CC(=CC=1)OC)=O)NC(C1C=CC=CC=1)=O 44500484 -ClC1C=CC2=C(C=1)OCC(N2CCC(NC1=CC=CC=C1OC)=O)=O 52031540 -O1C2=CC(C=CC2=C(C2C=C(C(NCC#C)=O)C=CC=2C(=O)O)C2C=CC(=CC1=2)O)=O 10927778 -BrC1=CC=CC=C1C(N/C(=C\C1C=CC(=CC=1)Cl)/C(N[C@@H](C(=O)O)C)=O)=O 2257706 -S(C1=CC(C=C/C/1=N\S(C1C=CC(C)=CC=1)(=O)=O)=[N+]=[N-])(NC1=CC=CC=C1CC)(=O)=O 49822825 -ClC1C=CC(=CC=1)C[C@H](C(N[C@H](CC1=CN=CC=C1)C(N[C@@H](CO)C(N[C@@H](CC1C=CC(=CC=1)NC(C)=O)C(N[C@H](CC1C=CC(=CC=1)NC(C)=O)C(N[C@@H](CC(C)C)C(NC(C(N1CCC[C@H]1C(N[C@@H](C(=O)O)C)=O)=O)NC(CCNC(C)C)=O)=O)=O)=O)=O)=O)=O)NC([C@@H](CC1C=CC2=CC=CC=C2C=1)NC(C)=O)=O 16145362 -S(C1=C(C=CC(=C1CCCCCCCCC)OC1C=CC=CC=1)S(=O)(=O)[O-])(=O)(=O)[O-].[NH4+].[NH4+] 23198634 -BrC1=CC=CC=C1NC(CCNC(C1CCN(C(C(NC2C=CC(=C(C(NC(C)CC)=O)C=2)Cl)=O)C)CC1)=O)=O 50592255 -S=C(C1C=C(C)N(C2C=CC=CC=2)C=1C)N1CCOCC1 951854 -S(C1C=CC2=C(C=1)OC1C=CC=NC=1S2)(N)(=O)=O 44341494 -FC1=C(C(F)(F)F)C=CC(=C1)C(N1CC(C(NCC2C=CC=CC=2)=O)C2(CCNCC2)C1)=O 44732878 -S(C1C=CC(C(C)=O)=CC=1)(N[C@H](C(=O)O[C@H](C(NCC=C)=O)C)C)(=O)=O 8854072 -O=C(C1C=CN=C(C=1)C(C)(C)C)NC(C)C1C=CC=CC=1 2956884 -ClC1C=C(C=CC=1[C@@H]1CC(NC2C=CC(C)=CC1=2)=O)Cl 743973 -ClC1C=CC(C(NC(C)CC)=O)=CC=1NC(C(C)N1CCC(C(NC(C(NC2C=CC(C)=C(C=2)NC(C2C=CC(=CC=2)Cl)=O)=O)C)=O)CC1)=O 50705833 -FC(C1=CC=CC=C1NC1=C(C(=NC=N1)OC1C=CC(=CC=1)CC)[N+](=O)[O-])(F)F 23484320 -FC1C=CC(=CC=1)N(C(COC1=CC=CC(C(=O)O)=C1)=O)CC 45396951 -Cl/C(=C\C1C=CC=CC=1)/C=N\N1C(N[C@](C)(C1=O)C1C=CC(=CC=1)OC(F)F)=O 41152566 -S1CCN(C(NC2C=CC3=C(C=2)C2C(=NC4=CC=CC=C4N=2)N3)=S)CC1 5964000 -S=C1NN=C(C2C=C(C(=C(C=2)OC)OC)OC)N1N=CC1C=CC(=CC=1)OCCC 1892993 -O1COC2C=CC(=CC1=2)CNC1C(N(C=CN=1)C1C=CC=CC=1)=O 20941544 -FC1=CC=CC=C1NC(CCOC1=CC=CC=C1OC)=O 4783195 -S(C1C=CC=CC=1)(C1C(C)=C(C)N(C=1NC(C1C=CC=C(C=1)F)=O)C(C)C)(=O)=O 17595756 -O=C1NCCN1C1C=C(C2=NNC(CC3C=CC=CC=3)=N2)C=CC=1C 50974150 -S1C2=C(C(N(C3C=CC=CC=3)C(=N2)SC(C(N)=O)C)=O)C2=C1CC(C)CC2 4815236 -ClC1C=C(C=CC=1C1=C2C(=NC(=N1)SC)N=CN2)Cl 16067746 -O(C(=O)OCC)C1(CCCCC1)N(C)C1C=CC(C2C=CC=CC=2)=C(C#N)C=1 21693980 -ClC1CN(C2=C(C=CC(=C2)S(C(C)C)(=O)=O)NS(=O)(=O)F)CCN1 44686897 -BrCCCC(NN1C=NC2=C(C=NN2C2C=CC(C)=C(C)C=2)C1=O)=O 44008122 -S1(CC(C(N(CC1)C1CCC2CC2C1)=O)NC)(=O)=O 22985237 -[Sn](C)(C)(C)CCCCCCCCCCCBr 23466814 -O=C(NC(C)(C)C)N1CCN(C2=NC3=CC=CC=C3N2CC2C=CC=CC=2)CC1 45553261 -O(CC1=NN=C(C2C=CC(=CC=2)[N+](=O)[O-])O1)C(C(C(C)C)NC(CC1=CC=CC2=CC=CC=C12)=O)=O 4843754 -ClC1C=CC(=CC=1NC(CSC1=NN=C(C2=CC=CO2)N1CC(C)C)=O)[N+](=O)[O-] 41127579 -S(CCOC)C1=NC2C3=CC=CC=C3NC=2C(N1C1=CC=CC(C)=C1C)=O 7501409 -O1C2C=CC(=CC=2C[C@@H]1C)C(=C1C(C(N(CCCOC)[C@@H]1C1=CC=CC2=CC=CC=C12)=O)=O)O 27043886 -O=C1C2C=C(C(=O)OC3C=CC=CC=3)C=CC=2C(N1C1=CC=CC=C1OC(C)=O)=O 5096254 -S1C=C(C(C2C=CC=CC=2)=C1C)C(N[C@H](C)C(C)(C)C)=O 7346693 -ClC1C=C(C=CC=1C(NC1=CC=CC=C1C(NCC1=NN=C2C=CC=CN12)=O)=O)[N+](=O)[O-] 29239510 -O=C(C1=C(C)NC2=NC3=CC=CC=C3N2C1C1C=CC(=CC=1)C(C)(C)C)NC1C=CC(C)=CC=1C 3623764 -BrC1C=CC2=C(C=1)SC(=N2)N(C(C1C=CC2=CC=CC=C2C=1)=O)CC1=CN=CC=C1 40983217 -O=C1C(=C(C(C)=O)[C@@H](C2C=CC(=CC=2)C(C)C)N1CCC1=CNC2=CC=CC=C12)[O-] 51375450 -O=C(CC)[C@H]1CCCC[C@@H]1C(C(=O)[O-])(C)C 7056722 -O1C(C2C=CC(=CC=2)OCCCO)=N[C@@]2(C(N(CC=C)C3=CC=CC=C3C2)=O)C1 23748562 -ClC1C=C(C=CC=1S(N1B(C2C=CC(C)=CC=2C=N1)O)(=O)=O)NC(C)=O 44384770 -O(C(C)(C)C)C1(CC2C=CCC=2)CC=C(C)C=C1C(C)(C)C 22555653 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-S(C1C=CC(C)=CC=1)CC1C(/C=N/CCCCC)C(N(C2=NC3=CC=CC=C3S2)N=1)=O 9499125 -FC1C=CC(=CC=1)CN1C(C2=C(C(C3C=C(C)C(C)=CC=3O2)=O)C1C1C=CC(=C(C=1)OC)OCCCCCC)=O 18811028 -ClC1/C(=C\C=C2/C(C)(C)C3C=C(CO)C(=CC=3N/2C#CC(=O)O)OC)/CCCC=1C=CC1C(C)(C)C2=CC(=C(C=C2[N+]=1C)OC)OC |c:14,40,t:10,30,32,45| 23576611 -S1C(N(CC=C)C(/C/1=C\C1C=CC(C(=O)O)=CC=1)=O)=O 2187575 -N1CCCC2C=CC(CCCC[NH3+])=[NH+]C1=2 40425251 -O(CC1=CC=CC=N1)C1=CC=CC(=C1)C[NH2+]CC1C=CC=C(C=1)NC(C(C)C)=O 37755026 -S=C1NC2C=CC(=CC=2N1)NC(C(N1CCC(CC2C=CC=CC=2)CC1)=O)=O 10178764 -O1COC2C=CC(=CC1=2)C1=C(NCC2C=CC=CC=2)N2C=CC=CC2=N1 808673 -OC1CCC2C3=CC(=C(C=C3C(C3C=CC(C4N=NN(CC)N=4)=CC=3)=NC2C1)OC)OCC 11676709 -O(C)C1=CC=CC(=C1)C1=CCCN(CCC)C1 13695100 -FC1C=CC(=CC=1)NC(C1C=CC(C)=C(C=1)NC(C(C)N1CCC(C(NC(C(NC2C=CC=CC=2)=O)C(C)C)=O)CC1)=O)=O 50077157 -ClC1C=CC(=CC=1[N+](=O)[O-])C(N[C@H](C(=O)O)CCSC)=O 7062973 -BrC1C=CC(=CC=1)C1=CSC(=N1)NC(C1CN(CCC1)S(C)(=O)=O)=O 44086192 -O(C(C1=C(C=CC(=C1)CN1C(C2=CC=CC=C2C1=O)=O)OC)=O)[C@@H](C)C(NC(NC(C)(C)C)=O)=O 27360610 -S(C1C=CC(=CC=1)OCC)(NN=C(C)C1CCCCC1)(=O)=O 4171922 -ClC1C=CC(=CC=1)CC(=O)O[C@H](C)C1=NC2=C(C(N1)=O)C(C)=C(C)S2 7648313 -ClC([N+]1C=C(C(Cl)(Cl)Cl)NN(C=1)NCCCNN1C=[N+](C(Cl)(Cl)Cl)C=C(C(Cl)(Cl)Cl)N1)(Cl)Cl 22213557 -S(C1C=CC(C)=CC=1)(CN1C([C@H](C2C=CC(=CC=2)F)N(CC)CC2C=CC=CC=2)=NN=N1)(=O)=O 1431197 -S(C1=CC=CC(=C1)[N+](=O)[O-])(NC1C=CC(=CC=1)/C(=N/[C@@H](C)C1C=CC=C(C=1)OCC)/[O-])(=O)=O 52785329 -O=C1C2=C(N=C(C(/C=C/C=C3\C(N=C4C(C(N(C5C=CC=CC=5)N4)=O)=C\3C3C=CC=CC=3)=O)=C2C2C=CC=CC=2)[O-])NN1C1C=CC=CC=1 22964263 -S(CCCC)(NC1=C(C(=O)OCC)C=C(CC)S1)(=O)=O 43624146 -FC(C1=C(C=CC(=C1)NC(C(C)(C)OC(CCC)=O)=O)[N+](=O)[O-])(F)F 551298 -S(C1C=CC(=CC=1)OC)(NC1C=CC=C(C=1OC)OC)(=O)=O 3753428 -S1C=CC=C1C(CCC(=O)OCC(C1C=C(C)N(C2C=C(C)ON=2)C=1C)=O)=O 7810014 -S(C1=CC=C(C(NC2=CC=CC=C2C)=O)C2=CC=CC=C12)(NC1CCN(C(N(C)C)=O)CC1)(=O)=O 10480892 -ClC1C=CC(=CC=1)C1C=C(NS(C2C=CC=CC=2)(=O)=O)N(C2C=CC=CC=2)N=1 45034074 -O(CC1C=CC=CC=1)[C@@H]1CCCN(C2=CC=CC=C2OC)[C@H]1CC(COCC1C=CC(=CC=1)OC)=O 10648738 -S(C1C=CC(=CC=1)CNC(C1=CC=C(CC)O1)=O)(NC)(=O)=O 45813601 -O1CCC2C3=CC=CC(CC)=C3N(C)C=2[C@@]1(CC(=O)O)CC 29918827 -S1C(C)=CC=C1C(N1CCCC1)=O 11019764 -O(C1=CC=CC(=C1)CNC(NCCC(N(C)C)=O)=O)C(C)C 52714191 -N1(CC2C=CC(=CC=2)N(C)C)CCC(CC1)C1C2=CC=CC=C2C=CC2=CC=CC=C12 14253320 -S1(CC[C@@H](C1)N1C(C)=NC2=C(C(N3CCC[C@@H](C)C3)=O)N=C(C3C=CC=CC=3)C=C12)(=O)=O 39860057 -ClC1C=C(C=CC=1C(NCC(NN1CCCCC1)=O)=O)Cl 9271324 -FC1C=CC(=C(C=1)OCC)NC(N(C)CC1C=CC2=C(C=1)OCCO2)=O 52265725 -ClC1=CC=CC=C1C1=CC(CN2CCN(C[C@H](COC3C=CC4=C(C=3)N=C(C)S4)O)[C@@H](C)C2)=NO1 10369172 -S(C1C=CC(C(C)C)=CC=1)(N1CCC(CC2C=CC(=CC=2)OC)CC1)(=O)=O 46086961 -S(C)CCC(C(NN=C1C(N(CC=C)C2=CC=CC=C21)=O)=O)N1C(C2=CC=CC=C2C1=O)=O 6843290 -O=C(C)[C@H]1CC[C@H]2[C@H]3CCC4=C/C(/CC[C@@]4(C)[C@@H]3CC[C@@]21C)=N/OCC(NCC(C)(C)[C@@H](C(=O)[O-])O)=O 51722435 -ClC1=CC=CC(=C1)C[NH2+]CC(NC1=C(C(=O)OCC)C(C)=C(C)S1)=O 2456111 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10897425 -O=C(C(C1C=CC(=CC=1)OC)N(C)C)NC1CCCCC1 4206045 -S1C=CC(C(N)=O)=C1NC(CN1CC2=CC(=C(C=C2CC1)OCC)OCC)=O 8993159 -O1COC2C=CC(C(NNC(C3=CC(C4C=CC=CC=4)=NC4=CC=CC=C34)=O)=O)=CC1=2 26798632 -O(C(C1C=CC=C(C=1)OCC1C=CC=CC=1)=O)CCCN1C=NC2=CC=CC=C2C1=O 30338762 -FC1=CC=CC=C1CCNCC1C=CC=C(C=1OC)OC.OC(C(=O)O)=O 17367420 -S(CCCNC(C)CCC)(=O)(=O)O 11976761 -S1C=CC(=C1)C(NCCCC(N1C2C(=NC3=CC=CC=C3N=2)N(C)CCC1)=O)=O 24468043 -S=C(NC1C=CC(C)=CC=1)N/N=C1\CCN(CC2C=CC=CC=2)CC\1 8154707 -[99Tc+2]=O.O(CC(N(CC(N(CC(=O)O)CC(=O)O)=O)CC(N(CC(=O)O)CC(=O)O)=O)=O)C1C=CC(=CC=1)C1C2C=CC(=C(C3C=CC(=CC=3)OCC(N(CC(N(CC(=O)O)CC(=O)O)=O)CC(N(CC(=O)O)CC(=O)O)=O)=O)C3=CC=C(C(C4C=CC(=CC=4)OCC(N(CC(N(CC(=O)O)CC(=O)O)=O)CC(N(CC(=O)O)CC(=O)O)=O)=O)=C4C=CC(C(C5C=CC(=CC=5)OCC(N(CC(N(CC(=O)O)CC(=O)O)=O)CC(N(CC(=O)O)CC(=O)O)=O)=O)=C5C=CC=1[N-]5)=N4)[N-]3)N=2 16129606 -FC1C(=CC2=C(C=1)OCC(N2CC(C)C)=O)N 19047151 -ClC1C(=CC=CC=1/C(=C\C(=O)[O-])/C1C=CC(=CC=1)OC)Cl 19421681 -ClCC1C=CC(=CC=1)OC(NC)=O 13434003 -[Fe+2].O(CC)C(/C=C/[C]1[CH][CH][CH][CH]1)=O.[CH]1[CH][CH][CH][CH]1 |^1:7,8,9,10,11,13,14,15,16,17| 11335081 -S(C1=CC=CC=N1)CC1C(C)C(C2C=CC(CO)=CC=2)OC(C2C=CC(C3=CC=CC=C3CNC(C3CCCN3C(C(F)(F)F)=O)=O)=CC=2)O1 5001059 -O=C1C(C(=C(C2C=CC=C(C=2)OCC)O)C(C2=CN=CC=C2)N1CCOC)=O 3153176 -S1C=C(COC(COC2C=C(C)C=CC=2C)=O)N=C1C1C=CC=C(C=1OC)OC 31270593 -[Sn](CCCC)(CCCC)(CCCC)CCC[N+](C)(CCO)CCO.S(C)(=O)(=O)[O-] 24198372 -FC1C=CC(=CC=1)N1C(C[C@@H](C1)NC(NCCC(C)C)=O)=O 7547941 -O1CCC2C1=CC=CC=2NC1=C(C(N)=O)C=NC2=C(C)N=C(C(N[C@@H](C)COC)=O)C=C12 11848585 -S(C1C=C(C=CC=1C)NC1=NC=CC(=N1)N(C)C1C=CC2=C(C=1)N=C(NCCC1C=CC=CC=1)N2C)(N)(=O)=O 10129064 -S=C(NCC1C=CC=CC=1)NN1C(C2[C@@H]3C(C)=C[C@@H]([C@@H](C(C)C)C3)C2C1=O)=O 44614166 -O1CCOC2C=CC(=CC1=2)N[C@@H]1CCC[NH+](CC2=CN=C(CCCC)N2)C1 42291063 -N#C[C@@H]1CCC[C@@H](C)C1 51723184 -ClC1=CC=CC(=C1)N1C(NC(/C(/C1=O)=C\C=C1/N(C2C=C(C3C=CC=CC=3)C=CC=2O/1)CCCC)=O)=O 22952566 -ClC1=CC(=C(C=C1NC([C@H](C)OC1C2=CC=CC=C2C(C2C=C(C)C=CC=2C)=NN=1)=O)Cl)Cl 6409140 -FC1C=CC(=CC=1)[C@H]1[C@@H]2CC=C[C@@H]2C2C=C(C(=O)OCC)C=CC=2N1 749947 -ClC1=CC=CC(=C1)N1C(CNC(NC2C=CC(C(NC3C=CC(=CC=3)F)=O)=CC=2)=O)=CC(C(C)(C)C)=N1 49802241 -Cl[Si](C)(CCl)OC 23105415 -ClC1C=C(C(C(C=1)=CNC1=CC=CC=C1F)=O)[N+](=O)[O-] 7605742 -O(C1=CC=CC=C1CC=C)CCCCN1C(C2C=CC=CC=2)=NC2=CC=CC=C12 17000551 -O(C1C=CC=CC=1)C1=CC=CC(=C1)NC(C1C2=CC=CC=C2C(N(C)N=1)=O)=O 2569681 -O(C1=CC=CC(=C1)NC(N(C)CCCC)=O)C(NC(C)(C)C)=O 20479461 -S(C1C=CC(C(NC2=C(C(NC(=O)OCC)=O)C3=C(CN(C(=O)OC)CC3)S2)=O)=CC=1)(N1CCCCC1)(=O)=O 44973025 -S1C(NC(C)=O)=NC(C)=C1C1C=CN=C(C2C=CC=CC=2)N=1 11209096 -O=C(CNC1C2=NN=CN2C2=CC=CC=C2N=1)NCC1C=CC(=CC=1)OC 52035813 -O1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@@H](C)O)CC[C@H]32)[C@@]2(C)CC[C@@H](C[C@@H]12)O 10087519 -ClC1C=C(CC(=O)O)C=CC=1SCCCCOC1C=CC2C(=CN[N+]=2C2C=CC=CC=2)C=1CCC 18701933 -O1C2=C(C)C=C(C)C=C2C(C2=C1C(N(CCC1C=CC(=CC=1)OC)[C@@H]2C1C=CC(=C(C=1)OCC)O)=O)=O 1965881 -[Cl-].[Cl-].P(C1=CC=CC=C1C[N+]1C=CC(=CC=1)C1C=C[N+](=CC=1)C1=CC=C(C#N)C2=CC=CC=C12)(=O)(O)O 23021287 -ClC1C=CC(=CC=1C(=O)O)NN=CC1C=CC(=C(C=1)OC)OCC1C=CC(=CC=1)[N+](=O)[O-] 50887224 -ClC1C=CC(=CC=1C(F)(F)F)S(N1CCC(C(NC2=CC=CC=C2N2CCOCC2)=O)CC1)(=O)=O 4237564 -S(C1C=CC(=CC=1)C(C)(C)C)(NNC(NC1=CC=CC=C1CC)=S)(=O)=O 4466572 -S1/C(=N\C2C=CC(=CC=2F)F)/N(C(/C/1=C\C1=CC=CC=C1OCC#C)=O)CC 9486124 -BrC1=CC=CC=C1C(NNC(CC1C=CC2=CC=CC=C2C=1)=O)=O 9340086 -ClC1C=C(C=CC=1CN1C=CC(C(NN=CC2C(=NC3=CC=CC=C3C=2)Cl)=O)=N1)Cl 4145114 -S1C(=NN=N1)NC(C1=CC=CC2=CC=CC=C21)=O 19114296 -ClC1C(=CC=CC=1C(C)CC(C(N1CC2=CC=CC=C2CC1)=O)N1CCNCC1)Cl 23027986 -S(CCCCCCC)C1CC(C)(C)C2C=C(C#CC3C=CC(C(=O)O)=CC=3)C=CC=2N=1 19963708 -BrC1=C(C2C=CC=CC=2)N(C)C(C2COC(C(CC)(C=21)O)=O)=O 300231 -O=C(C1=CC(C2=CN(C)N=C2C)=NC2=CC=CC=C12)NC1C=CC(=CC=1)[N+](=O)[O-] 19511700 -S(C1C=CC(C(NC2=NN=C(C3C=CC(=CC=3)OC)O2)=O)=CC=1)(N(CC=C)CC=C)(=O)=O 2158948 -O(C)C(C1=CC(C2CC2)=NC2=C3C(C)=CC(C)=NC3=NN21)=O 29091566 -ClC1=CC=CC=C1N([C@@H](C(NCCCC)=O)C1C=CC(=CC=1)N(C)C)C(C1CCCCC1)=O 51784524 -O=C1[C@@H]2[C@@H](C(N1C1=CC=CC=C1C(NC1C(=CC=CC=1CC)CC)=O)=O)[C@@H]1CC[C@H]2C1 11947121 -BrC1C=CC(=CC=1)[C@@H]1[C@@](C(NCC(C2C=CC=CC=2)C2C=CC=CC=2)=O)(CCS(C2C=CC=CC=2)(=O)=O)N=C(C2C=CC(=CC=2)OCCCO)O1 23749206 -S(C1=CC=CN2C(C)=NN=C21)(N(C1C=C(C)C=C(C)C=1)CC1C=C(C=C(C=1)F)F)(=O)=O 49665053 -O[C@@H]1CN(C(CCC2=CC(NO2)=O)=O)CC[C@H]1C1C=CC2=CC=CC=C2C=1 50960730 -O=C(C1CN(C(C2C=CC(C)=CC=2)=O)CC1C1C=CC(C)=CC=1)N1CCN(C2=CC=CC=C2C)CC1 42680517 -ClC1=CC=CC(=C1)C1=CC=C(CNCCC2C=CC(=CC=2)S(N)(=O)=O)O1.[Cl-] 49953951 -OC1CCC2C3CCC4C=C(C=CC=4C3[C@@H](CCCOC(C)C)CC21C)O 44388436 -ClC1C=CC(=CC=1CC)OCC(NCCO)=O 43428208 -ClC1C=CC(=CC=1CN1C(C)=CC2=CC=CC=C12)N 43350105 -S(C1=CC=CC(C(NNC(C2C3=CC=CC=C3C(N(CC3C=CC=CC=3)N=2)=O)=O)=O)=C1)(NC1C=CC(C)=CC=1)(=O)=O 2519191 -[Si](C)(C)(C(C)(C)C)OC1CN2C(N(C3C=CC=CC=3)C(N2C(C=1)[C@H]1COC(C)(C)O1)=O)=O 10837626 -BrC1C=NC2=C(C=1)CCC1C=C(C=CC=1C2C1CCN(C(=O)OC(C)(C)C)C(C(N(CC2C=CC=CC=2)CCCN2C=CC=C2)=O)C1)Cl 18722612 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-[Si]1(C)(C)[Si](C)(C)[Si][Si][Si][Si][Si](C)(C)[Si]1(C)C 22935316 -[Cl-].OC1C=C(C=CC=1NC(C1=CC=CC=[N+]1C)=O)NC(=O)OC 17908304 -BrC1C=CC(=CC=1)CNC([C@@H](COC)NC(C)=O)=O 45486398 -O(C)C1C=CC(=CC=1NC(/C(/C)=C/C1C=CC=CC=1)=O)[N+](=O)[O-] 2187757 -ClC1=CC=CC(=C1)C(CN(C)S(C1C=CC=CC=1)(=O)=O)CCN1CCCCC1C1C=CC(=CC=1)OC 23285246 -S(C)(=O)(=O)OC1=CC=CC(=C1)CN(C(C)=O)C1CC1 42669661 -FC(C1=CC=CC=C1NC(C[N+]1=CC=CC=C1C)=O)(F)F 8827004 -O(C)C([C@](C)(CC1C=CC=CC=1)N(C([C@H](CC(=O)O)N)=O)CCC(C)(C)C)=O 18393063 -S1C(=C(C#N)C2=C1C[C@H](C)CC2)NC(CSC1=NN=C(C2CC2)N1N)=O 31193188 -ClC1C=CC(=CC=1[N+](=O)[O-])C1C2C(CC(C)(C)CC=2N(CCCCC)C2CC(C)(C)CC(C=21)=O)=O 15998671 -O=C1CCCC(=C1)N[C@@H]1C(=C)[C@@H]2C[C@H](C1)C2(C)C 6545223 -S(C1C=CC(=C(C=1)NC(C1C=CC(=CC=1)N(C)S(C)(=O)=O)=O)OC)(NC(C)C)(=O)=O 37993125 -O=C1C2(C(C(C3=CC4=CC=CC=C4O3)=O)=C(C(N2CCN(C)C)=O)O)C2=CC=CC=C2N1CCCC 5012201 -ClC1C=CC(=CC=1)S(CCCC(C(=O)OCC)(NC(C1C=CC=C(C=1)OC)=O)OC1C=CC=CC=1)(=O)=O.N1=CC=CC2=CC=CC=C12 21736195 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-O1CCOC2C=C(/C=C/C(=O)OCC(N[C@@H](C)CC)=O)C=C(C1=2)OC 8675151 -O1C2C=C(C=CC=2[N+](C1CCNC(CCCC)=O)=O)OC 19920306 -O1B(B2OC(C(=O)OCC)C(C(=O)OCC)O2)OC(C(=O)OCC)C1C(=O)OCC 2737425 -O=C1C(=CC=CN1C(C)C)C1=NC(N(C2C=CC(=CC=2)OC)C(NC2C=CC(=CC=2)OC)=N1)=O 21673432 -S(CC(NC1C=CC(=C(C=1)F)F)=O)C1C2CCCCC=2N(C(N=1)=O)C[C@@H]1CCCO1 41428657 -[Ca+2].O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O.OC(C(=O)[O-])C 92237 -O=C(NCC1=NN=CN1CC)N1CCCC1C1C=CC(=CC=1)OCC 51084743 -O=C(CCN1C2=CC=CC=C2C2CCCCC1=2)N/N=C\C(\C)=C/C1C=CC=CC=1 5617231 -O1C(C(C(C)=O)=CC2C=CC=C(C1=2)[N+](=O)[O-])=O 3586284 -S1/C(=N\C2C=CC(=CC=2)OC)/N(C(C2C=CC(COC)=CC=2)=O)C(CC)C1 18284741 -FC(C1C=CC(=CC=1)C1=NOC(CN2CCC(C(NC3CCCCC3)=O)CC2)=N1)(F)F 52114348 -S1C(=C(C(=O)OCC)C2=C1C1=CC=CC=C1CC2)NC(C1C=CC=CC=1)=O 1920294 -S(C1=CC=CC=C1OS(C1C=CC(C)=CC=1)(=O)=O)(C1CCOC=1C(C)C)(=O)=O 19759166 -OC1(C(NC2C=CN=C3C=CC(=NC=23)OC)=O)CCN(CCC2=CC3=C(C=N2)OCCO3)CC1 10205155 -N1(C2=CC=CC=N2)C(/C=C/C2C=CC=CC=2)=NC2=C(C)C=CC=C12 22736703 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-S(C1=CC=CC(C(F)(F)F)=C1)(N1CCCC1C(NCCC)=O)(=O)=O 42999399 -O=C(C1CCN(C(N(C)C)=O)CC1)N(C)[C@H]1CCC[NH+](CCC2C=CC=CC=2)C1 26331357 -BrC1C=CC(=CC=1)/C=C(/C(NC1C=CC(=CC=1)SC(C(NC1=NC(=CS1)C1C=CC(=CC=1)OCC)=O)C1C=CC=CC=1)=O)\NC(C1C=CC=CC=1)=O 22193220 -O=C(C1CC1)N(C)C1=CC=CC=C1C(NC(C)CCC1C=CC=CC=1)=O 45908735 -ClC1C=C(C=CC=1CN1CCN(C2=C(C(N(C)C3=CC=CC=C23)=O)[N+](=O)[O-])CC1)Cl 2919852 -S1C2=CC=CC=C2N(CC(NC2C=C(C)C=CC=2C)=O)CC1 27199292 -S1C(C2C=CC(C(F)(F)F)=CC=2)=NC(C)=C1COC1=CC=CC2=C1C=CN2 11574605 -S1C=C(C(NC2C=CC(C(=O)OCC)=CC=2)=O)N=C1C1C=CC(=C(C=1)OC)OC 28027105 -O=C(C1=C(C[NH2+]CC2C=C(C)N(C)N=2)N2C=CC=CC2=N1)N(C)CC1C=CC=CC=1 25812637 -S1/C(=N/N=C\C2=CN=CC=C2)/N(C(/C/1=C/C1C=CC(=C(C=1)OC)OC)=O)CC1=CC=CO1 19246111 -BrC1C=C(C=CC=1C[NH2+]C1CCN(CC1)C(C1CC1)=O)OCCO 52174748 -FC(OC1=CC=CC=C1NC(C(N)=O)C)(F)F 43089309 -S1C=C(C2C=CC(=CC=2F)NC(C)=O)N=C1NC(CCNC(C1=CC=CS1)=O)=O 41763597 -S(C1=CC=C(CN2C(N[C@@]3(C2=O)C2=CC=CC=C2OCC3)=O)O1)(N(C)C)(=O)=O 52256909 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6052690 -[Si](C1=CC=CC(C)=C1C)OC(C1=CC=CC=C1[N+](=O)[O-])C1=CC=CC=C1[N+](=O)[O-] 22342181 -ClC1=C(C=CC(=C1)NC(CN(C)S(C1C(C)=NOC=1C)(=O)=O)=O)OC 24249240 -[Si]12(C3C=CC=CC=3)CO[Si](C)(C3C=CC=CC=3)O[Si](C)(C3C=CC=CC=3)OC[Si](C)(O[Si]3(C)OC[Si]4(O)OC[Si](C)(OC)O[Si](C)(CO[Si](C)(CO[Si](C)(O3)O1)O4)OC)O2 20675720 -O(CC)C1C=CC(=CC=1)C(CC)=NNC(C1=CC(C2C=CC(=CC=2)OC)=NN1)=O 5191742 -OC1C=CC(C2C=CC=CC=2)=C(C=1)CC1C=CC(=CC=1)C(C)C 20192625 -S(C)C(OC1CCCCC1)=S 511672 -O=C1[C@@H](C(NC(N1CC1C=CC=CC=1)=O)=O)C(=C)NN1CCCCCC1 1987695 -S([C@@H](C(N/N=C\C1C=CC(=CC=1)N(CC)CC)=O)C)C1=NN=C(CNC2C=CC=CC=2)N1CC=C 9510366 -O=C(C1C=C(C2C=CC3C(=C/C(=C4\N=C(C)NO\4)/N=3)C=2)N(C)N=1)NCC1C(C)=NN(C)C=1C 45376743 -O=C(CN1C(C)=NC2=CC=CC=C12)NC1C=CC(C#N)=CC=1 7755826 -O(C(C)(C)C)C(C1CCC=CC1NC(C)=O)=O 17792300 -S(C1=C(C=CC(C(NC2=CC=CC=C2C)=O)=C1)F)(NCCC1C=CC=CC=1)(=O)=O 3286195 -S1(CC[C@H](C1)N1CCN(C([C@H](C)N2C(C3=CC=CC=C3N=N2)=O)=O)CC1)(=O)=O 52899663 -S1C(=C(C(=O)OC)C(C)=C1CC1C=CC2=C(C=1)OCO2)NC(C1C=CC(=CC=1)OCCCC)=O 5109480 -S(C1C=CC(=C(C=1)[N+](=O)[O-])N1CCC[C@H](CNS(N)(=O)=O)C1)(N1CCN(C)CC1)(=O)=O 52874085 -O=C(CN(CC(NC1C=CC(=CC=1)OC)=O)CC)NC(NCC(C)C)=O 9026824 -O=C(COC1C=CC(/C=N\NC([C@@H]2COC3=CC=CC=C3O2)=O)=CC=1OC)N1[C@H](C)CCC[C@H]1C 41152551 -BrC1C=C(C=C(C=1OC1C=CC(=C(C=1)C(C)C)O)Br)CC1=NC(CC(=O)O)=CS1 9872024 -ClC1C=C(C=CC=1CSC1=N[C@H]2CS(C[C@@H]2N1C1=CC=CC(C(C)=O)=C1)(=O)=O)Cl 39883858 -S1C(C)=C(C2C=CC(=CC=2)OC)N=C1N(CC1C=CC=CC=1)C(CN1C(N(C(C)=O)CC1=O)=S)=O 2344516 -S(CC1C=CC=CC=1)CC(C(NC(C(=O)OC)CC1C=CC(=CC=1)O)=O)NC(=O)OCC1C=CC=CC=1 294956 -ClC1C=CC(=CC=1NC(CN1CCN(CC1)S(C1=CC=CC=C1C(F)(F)F)(=O)=O)=O)Cl 3657730 -O1C2=C(C=CC3C[C@@H]4[C@@H]5C=C[C@@H]([C@H]1[C@]5(CCN4)C=32)OC)OC 24748938 -FC(C1C=CC=C(C=1)NC(CN1C=C(C(C=C1CN1CCN(C2C=CC=CC=2)CC1)=O)OC)=O)(F)F 27452020 -S1C=CC=C1[C@H](CNC([C@H](C)OC1C=CC(C#N)=CC=1)=O)[NH+]1CCCC1 51651440 -ClC1C=CC(=CC=1)C1C(C)(CCCSC)CN(C(N(C2C=CC(=CC=2)OC(F)(F)F)SC(=O)OC)=O)N=1 19852167 -Br[C@@H](C(=O)OCC)[C@@H](C)C(F)(F)F 7568924 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-[Si](C)(C)(C)CC(=C)C(F)(F)F 10932063 -O=C(C1CCCN1C(C(CCC(N)=O)N)=O)NC(C)C(NC(C(=O)O)C(C)CC)=O 18482363 -ClC1=CN=C(N=C1C1=CN=C2C=CC=CN12)NC1C=CC(=CC=1OC)N1CC[C@H](C1)NC(C)=O 45381891 -BrC1C=CC(=CC=1)[C@@H]1CC(C2=CC=CC=C2N1C(C)=O)=O 46211732 -FC1C=CC(C)=C(C=1)NC(C1C=CC(C)=C(C=1)NC(C(C)N1CCC(C(NCC(NC2C=CC(C(NC3C=C(C=CC=3F)F)=O)=CC=2)=O)=O)CC1)=O)=O 50062803 -O=C1[C@@](/C=C\NC([C@H](C(C)C)N(C)C([C@H](C(C)C)NC(C)=O)=O)=O)(C/C=C(\C)/C)C2=CC=CC=C2N1 25170881 -O1CCOC2C=CC(=CC1=2)NC(NC(COC(C1C2=CC=CC=C2C(N(C)N=1)=O)=O)=O)=O 2486370 -S(C1C=CC(C(=O)OCC(NCC=C)=O)=CC=1)(NC1C=CC(C)=CC=1)(=O)=O 2511829 -SCC1=C(C(C)=NC=C1C)O 3060748 -O=C1C=C(C2C=CC(=CC=2)OC)N=CN1CC(NC1C=CC(C(=O)OCC)=CC=1)=O 25884249 -O1CCOC2C=CC(=CC1=2)N[C@H](C)C(NC1=CC=CC=C1OC)=O 8327049 -Cl.Cl.S1C(NC(C2C=CC(=C(C=2O)OC)OC)=O)=NC(=C1)C(NCCN(CC)C(C)C)=O 19611048 -O=C(C(C#N)=CC1=C(N=C2C=CC=CN2C1=O)OC1C=CC(=CC=1)OC)NC1CCCC1 4204511 -S=P([O-])([O-])[O-].S=P([O-])([O-])[O-].C.C 20975599 -OC(C1CCN(CC1)C(C1C=C(C)C=CC=1C)CC1=CC=CC=N1)=O 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22389911 -ClC1C=CC(=C(C(N(C)C)=O)C=1)NC(C1CCN(C(C(NC2=CC=CC(C(NC3C=C(C=CC=3F)F)=O)=C2C)=O)C)CC1)=O 50422100 -S(N1CCN(C(C2=C3CCCCCN3C(C3C=CC=CC=3)=N2)=O)CC1)(N(C)C1CCCCC1)(=O)=O 46439116 -S(C)(N(CC(NC1C=C(C=CC=1OC)OC)=O)C1=CC=CC=C1C(C)C)(=O)=O 30261128 -[Cl-].O(CCN(CC)CC)C(C(C1=CC=CC=C1C)(C1=CC=CC=C1C)O)=O 24182579 -ClC1=CC=CC=C1N1CCN(C(C=CC2C=CC(=CC=2)S(N2CCCCCC2)(=O)=O)=O)CC1 49828410 -OC(C1C=CC=CC=1)CN1C2C(NC(N(C)C=2N=C1N1CCNCC1)=O)=O 3159088 -S(C1C=CC(=CC=1)F)(N(C1=CC=CC=C1OC)CC(N1[C@H](C)CCC[C@H]1C)=O)(=O)=O 51878833 -ClC1C=C(C=CC=1C(NC1C=CC(=CC=1)S(NC(C)COC)(=O)=O)=O)F 45746742 -O=C(C)C(C1C=CC=CC=1)CC(C)=O 12288236 -ClC1C=CC(=CC=1)NC([C@@H](C)S(CC1=CC=CC=C1C(F)(F)F)(=O)=O)=O 51946874 -S1C(C)=C(C)C(=C1NC(C1=CC=CS1)=O)C(C1=CC=CC=C1OC)N1CCN(C)CC1 46740444 -BrC1=C(C(C)=C(C(C#N)=C1C)OC)OC 11737297 -BrC1C=CC(/C=N/NC2=NN=C(N2N)SCC(NC2=CC=CC=N2)=O)=CC=1 17074591 -BrC1C=CC(=C(C=1)/C=C1\C(N(C(=S)S\1)C1=CC=CC=C1F)=O)OC 2582362 -O(C(C1C=CC(=C(C=1)OCC)OCC)=O)[C@H](C(NC(N)=O)=O)C(C)C 7785767 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-ClC1C=C(C=CC=1NC(C1C(C)=C(C(=O)OCC)N(C)C=1C)=O)Cl 43954002 -S(C1=NN=C(S1)SCC1C=CC(=CC=1)OC)CC1=CC=CC=C1OC 7820219 -ClC1C=CC(C(=O)OCC(NCC2=CC=CC=C2C)=O)=CC=1S(NC)(=O)=O 9332495 -S(C1C=CC(C)=CC=1)(N1CCN(CC(NC2=NC=CS2)=O)CCC1)(=O)=O 18277874 -Cl[C@@]12C(N(C)C([C@@]1(C[C@@H]1C(=CCN3C(N(C)C(N31)=O)=O)[C@@H]2C1=C(C=C(C=C1OC)OC)O)Cl)=O)=O 6639449 -[P@@]1([C@@](C)(CC(C)(C)O1)OC)(=O)OC 21724363 -FC1C=C(C)C=CC=1NC(C1C=CC(=C(C)C=1)NC(C(C)N1CCC(C(NC(C(NC2=CC=CC(C(NC3C=CC(=C(C=3)F)F)=O)=C2)=O)C(C)C)=O)CC1)=O)=O 50290134 -BrC1=CN(C2=CC=CC=C2F)N=C1C(NC1=CC(=C(C=C1C)OC)OC)=O 40170339 -O(C)C1C=CC(=CC=1)CC(N(C)OC)=O 22496069 -S1C=CC(C(=O)OCC(C2C=CC3=C(C=2)CCC(N3)=O)=O)=C1N1C(C)=CC=C1C 52464812 -O(C(C1=CN=C(C)C=C1)=O)C(C)C(NC1C=CC(=C(C=1)OC)OC)=O 18149712 -S1C=CC2=C1CCN(C(CN(C(C1C=CC(CC)=CC=1)=O)C(C)CC)=O)C2C1=CC=CC=C1C 3334089 -S(C1=CC=CC=C1N)(NCC(NCCC)=O)(=O)=O 43567164 -S1C(N(C(/C/1=C\C1C=CC(=C(C=1)[N+](=O)[O-])O)=O)CC(=O)OCC)=O 2269181 -O(CC1C=CC=CC=1)C1C=CC(=CC=1)C1C=NC2=C(C=O)C=NN2C=1C1CCCCC1 15958110 -O(C)C1=CC=C(C(C)C)C=C2C=CC(=C21)CCCCCCCCCCCCCCCCC 19996702 -S1C2=C(C(N(C(C)=N2)N)=O)C2C=C(/C=C/C3C=CC(=C(C=3)OC)O)CC(C)(C)C1=2 10525579 -S(CC1=CC=CC2=CC=CC=C12)C1=NN=C2N(CC=C)C(C3=CC=CC=C3N21)=O 2700813 -O=C(NC1C=CC(=CC=1)CCC1=NC2C=CC=NC=2N1C1C=CC(CCN)=CC=1)NCCCCCC 18619635 -S1C(=C(C(N)=O)C2=C1CCC2)NC(COC(C1C=CC2=CC=CC=C2C=1O)=O)=O 4851831 -ClC1=C(C=CC(=C1)C1C=CC=CC=1)OCC(NC)=O 17466417 -ClC1C=C(C=CC=1C(N1CCC(C2=NN=C(C3=CC=CO3)O2)CC1)=O)Cl 45540505 -ClC1C=CC(=CC=1OC)S(N1CCCCC1C)(=O)=O 50876662 -ClC1C=C(C=CC=1C(N[C@H](C)C1C=CC(=CC=1)OCC)=O)Cl 880687 -O(C1C=CC(C)=CC=1)C(C)C(NC1=CC=CC=C1CC1C=CC=CC=1)=O 45729374 -S1C2C(=C(N=C(CN3CCOCC3)N=2)OC2=CC=CC(C#N)=C2)C2=C1CCCC2 52237416 -O=C([C@H](CC1C=CC=CC=1)NC(C)=O)NCCCNC(C(CC1C=CC(=CC=1)O)N)=O 44292346 -S(C)C1C=CC(=CC=1)C(C)NC(C)C1C=C(C=CC=1F)F 43674208 -S1C=CC(=C1)CNCCNC1C=C(C)C2C=C(C=CC=2N=1)OC 44442050 -O[C@]12CC[C@H](C(C)O)[C@@]1(C)CC(C1[C@@]3(CO)[C@@H](C[C@@H](C[C@]3(CCC21)O)O)O)O 51029481 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-S=C(NCC)NNC(CP(=O)(OCC)OCC)=O 2847041 -[Si](C1C=CC=CC=1)(C1C=CC=CC=1)(C(C)(C)C)OCC[C@@H]1[C@@H](CN=[N+]=[N-])[C@H]([C@H](N2C=NC3C(=NC(NC(C)=O)=NC2=3)OC(N(C2C=CC=CC=2)C2C=CC=CC=2)=O)O1)OC(C)=O 11850234 -O1C(=CC2C=CC(=C(C=2)OC)OC)C(C2C=CC(=C(C)C1=2)OC(N(CC)CC)=O)=O 4836081 -NC1CCC(C2C=CC3=C(C(=CN3)CCN(C)C)C=2)CC1 19600427 -O(C(C)(C)C)C(C[C@H](C(=O)ON/C(=C1/C=CN=N/1)/N)CCCC1CCCCC1)=O 16748904 -O(CC)[N+]1(C)C(N(C(NOC)=O)N=N1)=O 45094468 -O(CC1C=CC=CC=1)NC(C1C=CC=C2C=1C=CC=N2)=O 26062087 -O=C1CCCN1C1C=CC(=CC=1)CC(NCC1=CC=C(C)N1C)=O 17424944 -SCC(C(N(CCO)C(C(NCCCC)=O)C1C(C)=CC=CC=1C)=O)NC(=O)OC(C)(C)C 18056935 -ClC1=C(C=CC(=C1)C1OCC(C)(CO1)N)Cl 28364 -S(C1C=CC(=C(C=1)NC(C1=CC=CC=C1CC1C=CC=CC=1)=O)OC)(N1CCOCC1)(=O)=O 26065604 -S1C(COC2=CC=CC3=CC=CC=C23)=NC(=C1)CN(C(C1=CC=CC(C)=C1)=O)CC(C)C 46009565 -ClC1C=C(C=CC=1CN1C(C)=C(C(C)=N1)NC(C(C)CN1C=C(C=N1)[N+](=O)[O-])=O)F 19564097 -BrC1C=CC(=C(C=1)[C@H]1C2=CCN3C(N(CCC4C(N(C)C5=CC(=C(C=C5N=4)OC)OC)=O)C(N3[C@@H]2C[C@]2(C(N(C3C=CC(=CC=3)F)C([C@]21Cl)=O)=O)Cl)=O)=O)O 6639466 -S1(CC2C(=C(NC(COC3C=CC(=CC=3)OCC)=O)N(C3C=CC(C)=CC=3)N=2)C1)(=O)=O 40869390 -S(CC1C=CC(=C(C=1)F)OC)C1=NN=C(C2C=CC=CC=2)N1CC 2088057 -ClC1C=CC(=CC=1C(N(C)C)=O)NC(C(C)N1CCC(C(NC(C(NC2=CC=CC(C(NCC3C=CC(=CC=3)F)=O)=C2)=O)C)=O)CC1)=O 50526967 -O=C(CN1CCC[C@@H]1C1C=CC=C(C=1)OC)N1C[C@@H](C)C[C@@H](C)C1 52295126 -BrC1=CC=CC=C1NC(CN(C)CC(NC(C#N)(C)C(C)C)=O)=O 51173829 -O1C(N(C2C=CC=CC=2)CC1COC1=CC=CC=C1OC)=O 46887414 -S(C1=NN=NN1C)CC(NC1C=CC(=CC=1)C(N1CCN(C2=CC=CC=N2)CC1)=O)=O 16377690 -BrC1C=CC(=CC=1)C1=CC(/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])[O-])=NN1 41281028 -S(CC(NC1=CC=CC=C1C(N)=O)=O)C1C=CC(=CC=1)NC(/C(=C/C1=CSC=C1)/NC(C1C=CC=CC=1)=O)=O 22188849 -ClC1=C(C=CC(=C1)CN1C(C)=C(C(C)=N1)NC(C1CC(C2=CC=CC=C2OC)=NO1)=O)Cl 19493616 -S(C1C=CC(=CC=1)C(C)C)(NC1C=CC2=C(C=1)C1=C(CC[C@@H](C)C1)O2)(=O)=O 1820436 -S1C(C(NC2=CN=C(C(C)(C)C)N=C2)=O)=CC2=C1N=C1N2C=CS1 48200257 -FC(OC1C(=CC=CC=1CNCCCOC(C)C)OC)F 43406303 -[Ni+2].ClC1=CC(C(N[O-])=O)=CC(=C1F)N(C(F)(F)F)SC(F)(Cl)Cl.ClC1=CC(C(N[O-])=O)=CC(=C1F)N(C(F)(F)F)SC(F)(Cl)Cl 21558762 -S(C1=NN=CN1C)C1C=CC(=CC=1[N+](=O)[O-])C=C1C2C(=C(C(=O)O)C3=CC=CC=C3N=2)CC(C)C1 4034769 -ClC1C=NN(C=1)[C@H](CC)CCNS(C1C=CC(=CC=1)NC(=O)OC)(=O)=O 51853651 -ClC1=C(C=CC(=C1)CS(C1C(C(=O)OCC)=CCCC1)(=O)=O)F 44567339 -ClCC(C)(C)C(NCC1=NN=NN1C1C=CC(=CC=1)OC)=O 41566648 -ClC1C=C(C=CC=1C(=O)OC1=C(C(=C(C2C=C(C=CC=21)OC)OC(C)=O)OC)OC)Cl 23038539 -[Ti+2].[Si](C#C[Si](C)(C)C)(C)(C)C.[C]1([CH][CH][CH][CH]1)CC.[C]1([CH][CH][CH][CH]1)CC |^1:11,12,13,14,15,18,19,20,21,22| 11429617 -S1C(N(C(/C/1=C\C1C(N2C=CC=CC2=NC=1N1CCCC1)=O)=O)CCCCCCC)=S 5799949 -O=C1CN=C(C(NCC2C=CC=C(C#N)C=2)=O)NN1C1C=CC(C)=CC=1 45817581 -S(CC1C=C(C2=CC=CS2)ON=1)C1=NN=CN1CC1=CC=CO1 30909502 -S=C(NNC(COC1C=CC(C)=CC=1C)=O)NC(C1=CC=CC=C1OCCOC)=O 17356154 -S(C1C=CC(C(N(C2=NC3C=C(C=CC=3S2)OC)CC2C=CC=CC=2)=O)=CC=1)(N1CCOCC1)(=O)=O 41109994 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5851029 -S(C1C=CC=CC=1)(C1=NC(=C(C(C)C)O1)OCCCC1C2=CC(=C(C=C2CCN1)OC)OC)(=O)=O 23170549 -S1C(N(C(C2=CC=CS2)=O)CC)=NC2=C1CCC1=C2C=NN1CC(C)C 46967596 -FC1=CC=CC=C1CNC1C=CC2=C(C=1)OCCO2 18778411 -O1[C@H](C[C@H](C=C1C(NC1CC1)=O)C1C=CC2C3=CC=CC=C3CC=2C=1)OCC1C=CC(CO)=CC=1 23760493 -O(C)C([C@]1(C)CCC[C@@]2(C)[C@@H](CCC3C=COC=3C[NH2+]CCO)C(=C)CC[C@@H]21)=O 26917603 -S1C(C)=C(C)N(CC2=CN=CC=C2)/C/1=N\C(C12CC3CC(CC(C3)C1)C2)=O 24888568 -FC(C1C=CC(=CC=1)CN1C(CN(CCC(=O)O)C(C2C=C(C=CC1=2)CCCCCC/N=C(\N)/N)=O)=O)(F)F.FC(C(=O)O)(F)F 22905349 -O1C(=O)OC(=O)OC2=CC3CCC12C3 23213242 -S(C(N1C(C2C=CN=CC=2)=C(C2C=CC(=CC=2)F)N=N1)=O)SC1C=CC=CC=1 22725984 -O(CC(=O)OC1=CC=CC(/C=C(\C#N)/C(=O)OCC)=C1)C1C=CC(=CC=1)CC 19196489 -[NH+]1(CC=C)CCN(CC1)[C@@H](CC)C1=NN=NN1C1CCCC1 28202988 -ClC1=CC=C(C(CCC(N(C)CC(NC2=CC=CC=C2C(F)(F)F)=O)=O)=O)S1 34557132 -S1C(=NN=C1N1CCN(C2C=CC(=CC=2)F)CC1)SCC(NCC1C=CC=CC=1)=O 49699555 -O[C@](C1C=CC(=CC=1)OC)(C1=CC=CC=C1OC)[C@@H](C1C=CC=CC=1)CN1CCOCC1 28949425 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23488388 -FC1C=CC2C(C=1)=C(C(N=2)=O)N/N=C/C1C=CC(=CC=1)C(NCCCCCCCC(NC1=CC=CC=C1N)=O)=O 44136919 -O=C(N(C)C)NCC1C=CC(=CC=1)NC1=C2C(N=CN=C2NC(C)C2C=CC=CC=2)=NN1 21190608 -O=C(C1C=C(C)N(CC)N=1)NC1C=C(C)C=C(C)C=1 49697707 -O(C(C)C)C1C=C(C(=O)OC)C=CC=1CN1C2=CC=CC=C2CCC1C 23157635 -S1C(=NC2=CC=CC=C12)S/C(/C(=O)OCC)=N/NC1C=CC=CC=1 6244259 -ClC1C=CC(=CC=1)S(NC1C=CC2=C(C=1)CC(N([C@H](C)CO)C[C@H](C)[C@H](CN(C(NC1C=CC(=CC=1)F)=O)C)O2)=O)(=O)=O 44493021 -O(C)C1C2=C(C=C3CCN(C)[C@@H](CN/C=C4\C(NC(N(C\4=O)CCCCCC)=O)=O)C3=1)OCO2 6351129 -FC1C=CC(=C(C=1C)NC1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] 44182087 -S(C1C=CC(=CC=1)OCC)(N1CC[NH+](C[C@H](C2C=CC=CC=2)O)CC1)(=O)=O 2115147 -ClC1C=CC(=CC=1OCC(NN=C(C)C1C=CC(=CC=1)Cl)=O)Cl 1283616 -O(C1C=CC(=CC=1OC)CNCCC1C=CC=CC=1)CC(C1C=C(C)C(C)=CC=1C)O 4848757 -FC1C=CC(=CC=1)C(CCC(NC[C@H](C1C=CC=CC=1)C1=CNC2=CC=CC=C12)=O)=O 51867943 -N(CCCN)(CCCN)CCCC(CNCN(C)C)NCCCN 20681696 -ClC1=CC=CC(=C1C)NS(C1CC1)(=O)=O 45504930 -S=C(NNC(C1C2=CC=CC=C2C(N(CC)N=1)=O)=O)NC[C@@H](CC)CCCC 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-IC1=CC(=CC(=C1O)C(/C=C/C1C=CC(=C(C=1OC)OC)OC)=O)I 10929824 -ClC1=CC=CC(=C1)C(=O)OCC(NCCC1=CC=CS1)=O 7603964 -S(CC(NC(C)COC)=O)C1=NN=C(C2=CC=CC(C)=C2)N1CCC 17486146 -BrC1C=CC(=CC=1)C(NC(NC1C=CC(=C(C=1)Cl)N1CCN(C(CCC)=O)CC1)=S)=O 17317608 -[Se](C#N)CCCCCC(NC1C=CC=CC=1)=O 46844536 -FC1=CC=CC(=C1)C(NN1C(C2=CC=CC=C2N=C1C1CCCCC1)=O)=O 3226422 -ClC1C2=CC=CC=C2SC=1/C=C/C(=O)O[C@@H](C)C(N1CCC(C(=O)OCC)CC1)=O 52478322 -FC1C(=C(C=CC=1CN1C=CC2=CC(C(=O)O)=NC=C12)F)F 44549387 -ClC1C=CC(=CC=1)C1=NN=C(O1)SCC(NC1=CC=CC(C(C)=O)=C1)=O 994663 -ClC1C=C(C=CC=1NC([C@@H](C)N(C)CC(NC1C=CC(=CC=1)F)=O)=O)Cl 8367061 -S1C=C(C2C=CC3=C(C=2)NC(N3)=O)N=C1C1C=CC(=C(C=1)OC)OCC 24431754 -O=C(C[NH+](CC1C=CC=CC=1)C(C)C)N(C)CC(NC1C(C)=CC=CC=1C)=O 41787347 -O1C=CC=C1CNC(CCC1C=CC(C)=CC=1C)=O 36914229 -S1C=CC=C1CN(CCOC)C(CCC1=CNC2=CC=CC=C12)=O 51251804 -ClC1C=CC(=CC=1)C1=N/C(=C2/C=CC(C=C/2O)=O)/N/C(=C2/C=CC(C=C/2O)=O)/N1 25063515 -S1C(N(C(/C/1=C/C1C=CC(=C(C=1)OC)OC(C)=O)=O)CC1=CC=CC(C)=C1)=O 49896163 -ClC1C(=C(C=C(C=1)C[NH2+][C@H](C)CC)OC)OCC1=CC=CC(C)=C1 51995335 -[Si](C)(C)(C(C)(C)C)OCC1C=CC(=CC=1)O[Si](C)(C)C(C)(C)C 10893570 -O(CCOC)[C@H]1[C@@H](C2=CC=CC=C2C21CC[NH+](C/C=C/C1C=CC(=CC=1)OC)CC2)NC(CC)=O 42499021 -[Si](C)(C)(C(C)(C)C)OCC1C=C2C=C(C)C[C@@H]3C=C(C(=O)O3)C(C[C@H](C(=C)C)CC=1O2)OC(C)=O |c:12| 11432031 -S1C2C=CC(C)=C(C)C=2N=C1N1CCN(CC1)C(CC1CCCCC1)=O 43982810 -O(C1C=CC(=CC=1)C(C)(C)C)CCN1C(CNC(C2=CC=CC=C2OC)=O)=NC2=CC=CC=C12 17007635 -ClC1C=CC(=CC=1)C(NN1C(N(CC)C(C1CC(NC1C=CC(C(=O)OC)=CC=1)=O)=O)=S)=O 4447133 -ClC1C=CC(=CC=1F)NCCCCC 43721295 -O1C2CCC(=CC3=CC=CC=C3CN3[C@H]4C(=O)O[C@@H]5[C@H]6[C@@H]([C@H]([C@]4(C(N4CCC[C@@H]4C(NCCO)=O)=O)C5)O3)OCO6)[C@H]3CC(C)(C)[C@@H]3CC[C@@]12C 23307990 -IC1=CC=CC(=C1)C(=O)OCC(NCCC1C=CC(=CC=1)F)=O 16522245 -FC1=C(C=CC(=C1)CC(=O)OCC(C1C=CC(=C(C=1)NC(C)=O)O)=O)OC 9381739 -ClC1C=CC(=C(C=1)F)NC(COC(C1C=CC(=C(C=1)OCC)OCC(N1CCCCC1)=O)=O)=O 16269408 -S(C1C=CC2=C(C(=CC(N2)=O)C(NCCCN(C)C2C=CC=CC=2)=O)C=1)(N(CC)CC)(=O)=O 16289349 -O=C1C[C@@H](C(NC2C=CC3=C(C=2)OCCO3)=O)CN1C1C=CC(=CC=1)OCC 7425518 -S(CC(NC1C=CC2=C(C=1)OCO2)=O)C1=CC=CC=C1C(=O)OCC(NC(C)C(C)C)=O 24240711 -S1(CC[C@H](C1)NC(COC(C1C=CC(C=O)=CC=1)=O)=O)(=O)=O 7669380 -O(CC1C=CC=CC=1)C([C@@H](CC1C=CC(=CC=1)O)[NH3+])=O 7350241 -O(C1=CC=CC2=C1C(=NC=N2)NC1C=CC2=C(C=NN2CC2=CC=CC=N2)C=1)C[C@H]1CCCCN1C(CO)=O 11853988 -S(C1C=CC2=C(C=1)N=C(COC(C1=CC3=CC=CC=C3O1)=O)N2CCCC)(N)(=O)=O 29404007 -ClC1C=CC(=CC=1C(NC1C=CC=CC=1)=O)NC(CN1CCC(C(NC(C(NC2=CC=CC=C2CC)=O)C)=O)CC1)=O 50623093 -S(C1=NN=C(SCC)S1)C(C)C(C1C=CC2=C(C=1)CCN2C(C)=O)=O 46644988 -O(CC(N(C)CC(NC1CC1)=O)=O)C([C@H]1CC(N(C2=CC=CC=C2[C@H](C)CC)C1)=O)=O 8267948 -S(C1C=CC(=CC=1)N/N=C(\C#N)/C1=NC(C)=CS1)(NC1=NC=CC=N1)(=O)=O 46237597 -S=C1N/C(=C/C2C=CC(=C(C=2)F)F)/C(N1C1=CC=CC=C1C)=O 24510535 -OC(C1C=C(C2C=CC=CC=2)N(C=1C)N)=O 22634606 -S(C1C=CC(C)=CC=1)(N1C[C@@H]2[C@](C1)([C@H](CN1C(N(CCCCCC)C(N12)=O)=O)OC(NCC1C=CC(=C(C=1)OC)OC)=O)O)(=O)=O 46902262 -O(C1C=CC2=C(C=1)OC(C=C2CC)=O)C([C@@H](CCCC)NC(=O)OCC1C=CC=CC=1)=O 1752707 -O(C(C)(C)C)C(N1CCC(CC1)NC(C1=C(C(N[C@H](C)C2C=CC=CC=2)=O)N=CN1)=O)=O 44141960 -S(C1C=CC(C)=CC=1)(N(CN1C=CC(NC1=O)=O)CCOCP(=O)(O)O)(=O)=O 45273249 -FC1C=C(C=CC=1NC(C1=CC=CC=C1NC(C1CCN(C(C(NC2C=CC(=CC=2C)C(N2CCCC2)=O)=O)C)CC1)=O)=O)F 50145326 -O1CCN(C(/C=C/C2=CC3=CC(=C(C=C3CC2)OC)OC)=O)CC1 44217708 -S(C)(N(C(C1C=CC=C(C=1)OC(F)(F)F)=O)C1C=CC(=NC=1OC)OC)(=O)=O 3804434 -FC1C=CC(=CC=1[C@@]1(C)C(N(C(N1)=O)CC(NC[C@H]1CCCO1)=O)=O)F 8253905 -O(C1C=CC(C)=CC=1)CCN1CCN(C(C2CCC(N(C3=CC=CC(C)=C3)N=2)=O)=O)CC1 3755254 -BrC1C=C(C=NNC(CCNC(C2C=CC(=C(C=2)Cl)Cl)=O)=O)C=CC=1OCC(=O)OCC 3996849 -O(C)C1C=CC(=CC=1)C1=CN=NC(NNC=C2C=CC(C(=C2)OC)=O)=N1 7204032 -S1/C(=C\C2C=CC(C)=CC=2)/C(N2C1=NC(C(CC1C=CC(=C(C=1)OC)OC)=N2)=O)=O 1888591 -S1C=CC=C1[C@@H](C)NC(C1CCN(C(C2=CC=CC3=CC=CC=C23)=O)CC1)=O 27754889 -FC1=C(C)C=CC(=C1)C(=C1C(C(N(CCC[NH+](C)C)[C@]21C(N(CCCC)C1=CC=CC=C21)=O)=O)=O)[O-] 31646862 -OCCCCC=NNC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-] 220491 -ClC1C2C=CC(=CC=2SC=1C(NC1C=CC(C)=C(C=1)S(N1CCOCC1)(=O)=O)=O)F 26928291 -O(C)C1C=CC2C(C=1)=C1C(=CN=2)C(C2C=CC=CC=2)=NN1CC(NC1C=CC(C)=CC=1)=O 46341685 -S=C1N=C2CCCCC2C2(C(N(C(C)=O)C3=CC=CC=C23)=O)N1C1C=CC(=CC=1)F 14592304 -ClC1=CN=C(C=C1)NC(C(C)OC(C1=C(C)N=C2C=CC(=CC2=C1)OC)=O)=O 46676444 -O(CCCCCCCCCCCCCC1CCCCC1)[C@H](COCCCCCCCCCCCCCC1CCCCC1)[C@H]([C@@H]([C@@H](CO)O)O)O 10604845 -O(CC)C(N1CC[NH+](CC1)[C@@H]1CN(C(C2=CC=CC(CN3C=CC=N3)=C2)=O)CCC1)=O 25280054 -O(C(C(C1C=CC=CC=1)(C)N1CCCCCC1)=O)[C@@H]1C[N+]2(CCCC3=CN=CC=C3)CCC1CC2 24997979 -FC1C=CC(=CC=1NC(C1C=CC(C)=C(C=1)NC(C(C)N1CCC(C(NC(C(NC2=CC=CC(C)=C2)=O)C)=O)CC1)=O)=O)F 50035726 -O1CCOC1CC1C=NC=C(C=1)CC1OCCO1 11673258 -ClC1=CC=CC=C1N1C(NC(N1C1C=CC=CC=1)=O)=O 3066027 -O(C(CNC(C1C=C(C=C(C=1)OC)OC)=O)=O)CCOC1C=CC=CC=1 7884097 -ClC1(C[C@@H]1CSC1=NN=C(C2=CC3=C(CC[C@H](C)C3)S2)O1)Cl 8321802 -ClC1C=CC(=CC=1NC(C(C)N1CCC(C(NC(C(NC2=C(C)C=CC(=C2)C(N2CCCCC2)=O)=O)C)=O)CC1)=O)C(NC1CCCC1)=O 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-ClC1C(C)=CC(=C(C=1)C(C)C)OCC1=C(C=CC(=C1)C1C(C(=O)OCC)=C(C)NC(N1)=S)OC 17112373 -S1(CCC(C1)N(C(C(C)OC(C1=CC2C(C)=NN(C3C=CC(=CC=3)F)C=2S1)=O)=O)CC)(=O)=O 46616917 -ClC1=CC=CC=C1[C@H]1CC(C2=C(C1)NC(C)=C(C(=O)OCCOC)[C@@H]2C1C=CC=C(C=1)[N+](=O)[O-])=O 40437700 -O(C1C=CC(C)=CC=1)CC[NH+](C)[C@@H](C)C1=NC(C2=CC=CC=C2N1)=O 41139342 -ClC1C=CC=C(C=1S(N1CCC(C(N(C)CC2C=CC3=C(C=2)OCCO3)=O)CC1)(=O)=O)Cl 17515568 -O(C1C=CC(/C=C/C(C2C=CN(CC)N=2)=O)=CC=1)CC1C=CC(=C(C=1)OCC)OCC 19563449 -O=C1/C(=C\C2C=CC(=C(C=2)OCC)O)/C(C(=O)OCC)=C(C)N1C1C=CC=CC=1 1722683 -O(C1=CC(N2CCN(CC3C=CC(=C(C=3)O)OC)CCC2=C1C(=O)OC)=O)C[C@H]1CCC[NH+](C)C1 28099347 -S1C=CC=C1C1=CC=C(/C=C2/C=CC(C=CC3C=CC(=CC=3)OCC(NCCCCCC(NC(C)(C)C3CCC(C)(CC3)NC[C@@H](C3C=CC(=C(C=3)O)O)O)=O)=O)=N/2)N1B(F)F |c:1,3,12,18,20,50,52,60,t:6,8,15,22,54| 11593132 -[Ni+2].[N-]1C2C=C3C(CC)=C(CC)C(C=C4C(CC)=C(CC)C(=CC5C(CC)=C(CC)C(=C(/C=C/C#C)C1=C(CC)C=2CC)N=5)[N-]4)=N3 10604178 -O(C1C=CC(C)=C(C)C=1)C(C(NNC(C1C=CC=CC=1)=O)=O)C 17169337 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-BrC1C[C@]23[C@H](C(N(C4=CC=CC=C4Cl)CC=C)=O)N(CCO)C([C@H]2[C@H](C(=O)O[C@H](C2C=CC=CC=2)[C@@H](COC)NC(CCC=C)=O)[C@H]1O3)=O 23814578 -BrC1CC23C(C(N(CC=C)C(C)C)=O)N([C@@H](CO)CC(C)C)C([C@@H]2[C@H](C(=O)OCCCC=C)[C@H]1S3)=O 23867715 -O(C1C=CC(=CC=1)CNC(CC#N)=O)C1C=CC(=CC=1)C(C)(C)CC 22682188 -S(CC12C(/C(=C\C3C=CC(=CC=3)/C=C3\C(C4(CC)CCC\3C4(C)C)=O)/C(CC1)C2(C)C)=O)(=O)(=O)[O-] 20643415 -ClC1C=CC(=CC=1C(=O)OC)NS(C1=CC=C(S1)Cl)(=O)=O 51113022 -ClC1C=C(C=CC=1C(NC1=NC(C)=C(C2=NC(C3=CC=CS3)=NO2)S1)=O)Cl 39044080 -Cl/C(/C1=NC2=CC=CC=C2C(=O)O1)=C\C1=CC=C(C2=NC3=CC=CC=C3S2)O1 9035204 -ClC1=C(C=CC(=C1)S(NC1(C)CCS(C1)(=O)=O)(=O)=O)Cl 24420110 -S1C(=C(C(NC2CC2)=O)C2=C1C[C@H](CC2)C(C)(C)CC)NC(C1C=C(C)OC=1C)=O 40610615 -O(CC)C(C=NNC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])(C)C 345046 -S=C1N(CC)C(C2=C(N1CC)O[C@@]1(C3C=CC=CC=3)CCCC[C@H]12)=O 11302755 -BrC1C=CC2=C(C=1)C=CC(=C2)S(N1CCN(CC2C=CC=CC=2)C(C(=O)OCC)C1)(=O)=O 19360023 -O1C=CC=C1CCNC(C1C=CC=CC=1)CC(C)(C)C 43776519 -O=C(C(CCC)N)NC(C)C1CC1 43650309 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4204522 -O(C)C1C=CC(=CC=1)C1C2=C(N)NN=C2N=C(N=1)N1CCCC1 3535123 -FC1C=C(C=CC=1NC(C1C=CC=C(C=1C)NC(C(C)N1CCC(C(NC(C(NC2C=C(C(NC3C=CC=C(C=3)F)=O)C=CC=2C)=O)C(C)C)=O)CC1)=O)=O)F 50441282 -O=C(C1CCN(CC(NC2C=CC(C)=CC=2C)=O)CC1)NC(C)CC 16910152 -S(C)(C1C=CC2=C(C=1)SC(=N2)NC(CN1C(C2=CC=CC=C2C1=C)=O)=O)(=O)=O 16590481 -S1C=CC2=C1C=CC1=C2NC(C(N1)=O)=O 19915789 -S(=O)(=O)([O-])OCCCCCCCCCCN(C1C=CN=CC=1)CCCC.[Na+] 44887913 -O1[C@@H](C2=NOC(C3C=CC4=CC=CC=C4C=3)=N2)[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 16090164 -FC1C=C(C=C(C=1)CC(C(CNCC1=C(C2=CC3=CC=CC=C3N2)C=CC(=C1)CC(C)(C)C)O)NC(C)=O)F 11526641 -S(C)(NC1C=CC=C(C=1)N1C=NC2=C(NC)N=C(C(F)(F)F)N=C12)(=O)=O 9977415 -ClC1C=CC(=CC=1)[C@H]1CC2=C(C=NN2)[C@@H](CC)N1S(C1C=CC(=CC=1)Cl)(=O)=O 46884484 -S1CC2=CC=CC=C2C(C1)NC1C=CC(=CC=1)NC(C)=O 43756963 -N1(CCN2CCC=C2C1)C(C1C=CC2=C(C=CC=N2)C=1)C1=NN=NN1C1CCCC1 20980778 -FC1C=CC(=CC=1)NC(/C=C(\C(=O)[O-])/C)=O 25794142 -S(CC(C1C(NC(N(C=1N)CCC)=O)=O)=O)C1=NN=C(C2C=CN=CC=2)N1C1C=CC(C)=C(C)C=1 29514382 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+ClC1=CC(=C(C=C1/C(=C/OP(=O)([O-])[O-])/Cl)Cl)Cl 19907277 +S(CC1=NOC(C2=CC=CS2)=N1)(C1=NN=CN1CCOC)(=O)=O 45913037 +ClC1C=C(C(C(=O)O)=CC=1S(N1CCN(CC2=CSC=C2)CC1)(=O)=O)Cl 45301355 +O(C)C1C(=CC=CC=1CNC(CN1C(C=C(C)N=C1NC1C=C(C)C=C(C)C=1)=O)=O)OC 51364734 +O=C(C1CCN(C(C(NC2C=CC(C(NC3=CC=CC=C3C)=O)=CC=2C)=O)C)CC1)NC(C(NC1C=CC(C(NC(C)CC)=O)=CC=1)=O)C(C)C 50278851 +O1C2C[C@@H]3[C@@]4(C[C@@H](C(=O)OC)N3C(=O)OCC3C=CC=CC=3)[C@H](CC(=O)O4)C12 5461372 +O(C)[C@H]1CC[C@H]2[C@@](C=C)(C)[C@]21/C(=C\[N+]#N)/[O-] 11447339 +ClC1C=CC(=CC=1)N1C(CN(CCC2C=CC(=CC=2)F)[C@H]2CS(C[C@@H]12)(=O)=O)=O 24281610 +BrC1C=CC(=CC=1)/C=C/C(NNC(CN1C(CCCCC1)=O)=O)=O 9218906 +ClC1=CC=CC(=C1C)NC([C@H](C)SC1C=CC(C(F)(F)F)=CN=1)=O 41541219 +BrC1=CC2=C(C=C1NC([C@@H]1CC3=CC=CC=C3CN1C(C1=CC=CO1)=O)=O)OCCO2 30899125 +O(C1C=CC(/C=C/C)=CC=1OC)CC(N(CC)CC1=NC(C2=CC=CC=C2N1)=O)=O 8929631 +O=C1[C@@]2(C3=CC=CC=C3N1C)NC1=CC=CC=C1C(N2C[C@H](C1C=CC=CC=1)[NH+](C)C)=O 51717410 +ClC1=CC=CC(=C1)N1C(C(C(N2CCOCC2)=O)CC1)=O 46744207 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|c:2,4,9,11,32,36,t:6,13,27| 15974163 +FC1C=CC(=CC=1NC(C)=O)NC(CNC(C1CCN(C(C(NC2C=CC(C(NC3=CC=CC=C3F)=O)=CC=2C)=O)C)CC1)=O)=O 50321493 +O=C(C(CC(C)C)NC(C(CCC(N)=O)N)=O)NC(C)C(NC(C(=O)O)CC(C)C)=O 18480766 +ClC1=CC=CC=C1CSC1=NC(C)=CC(C)=N1 739857 +FC(C1=C(C=CC(=C1)N1CC[NH+](C)CC1)NC(CC1C=CC2=CC=CC=C2C=1)=O)(F)F 52649396 +O=C(CCN1C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C2=CC=CC(C)=C12)N/N=C\C1C=C(C=CC=1OC)OC 16451196 +N12C(C3C=CC(C)=CC=3)=NN=C1C1=CC=CC=C1N=C2N(C)CC1C=CC=CC=1 42852263 +S1C(C(=O)OCC)=C(C)C(C#N)=C1NC(C(C)OC(C1C2=CC=CC=C2N=C2CCN(CC)CC2=1)=O)=O 24109893 +ClC1=C(C=CC(=C1)N1C(CN(CCC2=CCCCC2)[C@@H]2CS(C[C@@H]12)(=O)=O)=O)OC 42345003 +N1(C(C2C=CC=CC=2)=CC(C)=N1)C(C)(C)C 10560601 +O=C(C1CCCN1)NC(C(NC(C(=O)O)CCC/N=C(\N)/N)=O)CCC/N=C(\N)/N 13653471 +O=C(C(CCC(NN=C(C)C1C=CC=CC=1)=O)NC(=O)OCC1C=CC=CC=1)NC(C(NN=C(C)C1C=CC=CC=1)=O)CC1=CNC2=CC=CC=C12 4083198 +S(C(C(C)=O)C(C1C=CC=CC=1)NC(C)=O)(=O)(=O)OC1C=CC=CC=1 44694595 +S1CNCC1CC1=CC=CC=C1C(/C=C/C1C=CC(=C(C)C=1)O)=O 19752463 +ClC1C=CC(=CC=1)NS(C1=CC=CC(=C1)C(NC[C@H](C1=CC=CS1)[NH+]1CCOCC1)=O)(=O)=O 2315518 +ClC1C=CC(=CC=1)C1=NOC(CCC(=O)O[C@@H](C#N)C)=N1 34420498 +BrC1=CNC(=C1)C(NC/C=C/C1=CNC(N1)=O)=O 11335904 +[Br-].[Br-].O=C1NC(C(CCCCCC)[NH2+]1)=O 21566702 +O1C=C(C)N=C1C1C=C(C2=NC(C)=C(C)N2C=1)NCC1=C(C)C=CC=C1CC 24890012 +ClC1C=C(C=C(C=1)C(N1CCN(C2=C3C(=NC(C)=N2)SC(C)=C3C)CC1)=O)Cl 39985144 +O(CC1C=CC=CC=1)C1=CC=CC=C1C(=O)OCC(NC1C(C)=CC(C)=CC=1C)=O 8113391 +O=C1CC(C(=O)[O-])CN1C1C=CC=C(C=1)OC 5124258 +FC1C=CC(=CC=1)COC1=CC=CC=C1C(=O)OC(C)C(NC1C=CC2=C(C=1)OCCO2)=O 45704201 +S1C=CC=C1[C@@H](CNC(NC1=CC=CC(=C1)NC(C1=CC=CS1)=O)=O)N(C)C 51945754 +S=C(NC1C=CC(=C(C)C=1)NC(C1=CC2=CC=CC=C2O1)=O)NC(CC12CC3CC(CC(C3)C1)C2)=O 17113967 +BrC(=C)CCN(CC(=O)OC)CC1C=CC=CC=1 11392797 +S1(/C(=C/C2C=C(C(=C(C=2)C(C)(C)C)O)C(C)(C)C)/CCN1C1=CC=CC=N1)(=O)=O 10573844 +O=C(C1=NC2CCCCC=2N1)N1C2=CC=CC=C2C(C2C=CC(=CC=2)O)C1 22372717 +S1C(N(CC=C)C(/C/1=C\C1=CC=C(C2C=CC(C(=O)[O-])=CC=2)O1)=O)=O 1782976 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9039678 +S(C(C)=O)C1(C2=CSC=N2)CCCN1C(=O)OCC1C=CC(=CC=1)[N+](=O)[O-] 19854526 +S(C1C=C(C=C(C)C=1C)[N+](=O)[O-])(N(CC1C=CC(C(N)=O)=CC=1)C1CC1)(=O)=O 25647373 +O(CC#N)C1C=CC(=CC=1)NC(C)C1CN(CC)CCC1 43308255 +BrC1C=CC(=CC=1C(=O)OCC(NC1C(=CC=CC=1C)[N+](=O)[O-])=O)F 8987129 +S(C)(C(C)(C)C1C=C2C=CC=NC2=C(C2C=CC=C(C3=C(C4C=CC(=CC=4)S(C)(=O)=O)N=C(C(C)(C)O)S3)C=2)C=1)(=O)=O 11285019 +S1C(N(C(C1CC1=C(C)OC2C=CC(=CC1=2)OCC1C=CC=CC=1)=O)CC1=CC=CC=C1OCC1CCCN1)=O 17882023 +S(C1=CC=CC(=C1)C(NCC1(CCCCC1)[NH+]1CCCCC1)=O)(NC1C=CC(=CC=1)OC)(=O)=O 25331376 +[I+](C1=CSC=C1C)C1=CSC=C1C 21854340 +BrC1C=CC(=CC=1C)N1C(CN2C=CC=C2C1C(NC1CCC(C)CC1)=O)=O 46255597 +FC1C=CC2=C(C=1)CC[C@H](C)N2CC(NC1=C(C(=O)OCC)NC2C=CC(=CC1=2)F)=O 1927800 +O=C(CCN(C(C1=COC=C1)=O)CC1=CC=CO1)N(CC1C=CC=CC=1)CCN(C)C 8043153 +O1CCN(CC1)CCN1C(C)=C(CN)C(C)=N1 28916411 +FC1C=CC(=CC=1)N1CC[NH+](C[C@@H](COC2C=CC(=CC=2)C(C)(C)C)O)CC1 7103780 +S(CC(NC1=CC=CC(=C1)CC)=O)C1=NN=C(C2C=CC(=CC=2)OCC)N1CCC(=O)O 45448427 +ClCCNC1CCS(C1)(=O)=O 4918558 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41379411 +O1CC[NH+](CC1)CCN1C(C(C(=C(C2C=NN(C3C=CC=CC=3)C=2C)[O-])C1C1C=CC=C(C=1)OC)=O)=O 3295564 +ClC1C=CC2C=CC(C(C(=O)OC3C4=CC=CC=C4C=N3)C(CN(C(C)=O)C)=O)=NC=2N=1 19900414 +ClC1C=CC(=CC=1)SC1=CC=CC=C1CCN1CCN(C)CC1.OC(/C=C/C(=O)O)=O.OC(/C=C/C(=O)O)=O 6446776 +S(C1C=CC(=CC=1)NC(C1=CC=CC=C1CCC1C=CC=CC=1)=O)(N/C(=N/CCCC)/[O-])(=O)=O 34926246 +S(C)C1C=CC(=C(C=1)C(NC1C=CC(C(=O)OC)=CC=1)=O)[N+](=O)[O-] 27873722 +O1C(C(/C=C/C2C=CC=C(C#N)C=2)=O)=CC2C=CC=C(C1=2)OC 25663467 +S(C1=NN=C(NC(CC)=O)S1)CC1=CC(C(=CO1)OC(C1C=CC(=C(C=1)OCC)OCC)=O)=O 16829470 +OCCNC1=C2C=NN(C3C=CC(C)=CC=3)C2=NC(=N1)N1CCCC1 45497480 +ClC1=C(C=CC(=C1)CSN1C(N)=NC(C2=C1NC(C=N2)=O)C(CO)CO)OC 17907090 +O(C(C1C=CC(CCCCCCC)=CC=1)=O)C1(C(C2C=CC(CCCCCCC)=CC=2)=O)[C@@](C(C2C=CC(CCCCCCC)=CC=2)=O)([C@H](C([C@H]([C@]1(C(C1C=CC(CCCCCCC)=CC=1)=O)OC(C1C=CC(CCCCCCC)=CC=1)=O)O)O)O)OC(C1C=CC(CCCCCCC)=CC=1)=O 22838918 +O=C(C[NH+]1CC[NH+](CC2C=CC3=C(CCO3)C=2)CC1)NCC1C=CC(=CC=1)N(C)C 8357663 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22389911 +ClC1C=CC(=C(C(N(C)C)=O)C=1)NC(C1CCN(C(C(NC2=CC=CC(C(NC3C=C(C=CC=3F)F)=O)=C2C)=O)C)CC1)=O 50422100 +S(N1CCN(C(C2=C3CCCCCN3C(C3C=CC=CC=3)=N2)=O)CC1)(N(C)C1CCCCC1)(=O)=O 46439116 +S(C)(N(CC(NC1C=C(C=CC=1OC)OC)=O)C1=CC=CC=C1C(C)C)(=O)=O 30261128 +[Cl-].O(CCN(CC)CC)C(C(C1=CC=CC=C1C)(C1=CC=CC=C1C)O)=O 24182579 +ClC1=CC=CC=C1N1CCN(C(C=CC2C=CC(=CC=2)S(N2CCCCCC2)(=O)=O)=O)CC1 49828410 +OC(C1C=CC=CC=1)CN1C2C(NC(N(C)C=2N=C1N1CCNCC1)=O)=O 3159088 +S(C1C=CC(=CC=1)F)(N(C1=CC=CC=C1OC)CC(N1[C@H](C)CCC[C@H]1C)=O)(=O)=O 51878833 +ClC1C=C(C=CC=1C(NC1C=CC(=CC=1)S(NC(C)COC)(=O)=O)=O)F 45746742 +O=C(C)C(C1C=CC=CC=1)CC(C)=O 12288236 +ClC1C=CC(=CC=1)NC([C@@H](C)S(CC1=CC=CC=C1C(F)(F)F)(=O)=O)=O 51946874 +S1C(C)=C(C)C(=C1NC(C1=CC=CS1)=O)C(C1=CC=CC=C1OC)N1CCN(C)CC1 46740444 +BrC1=C(C(C)=C(C(C#N)=C1C)OC)OC 11737297 +BrC1C=CC(/C=N/NC2=NN=C(N2N)SCC(NC2=CC=CC=N2)=O)=CC=1 17074591 +BrC1C=CC(=C(C=1)/C=C1\C(N(C(=S)S\1)C1=CC=CC=C1F)=O)OC 2582362 +O(C(C1C=CC(=C(C=1)OCC)OCC)=O)[C@H](C(NC(N)=O)=O)C(C)C 7785767 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51718651 +S1C(C)=CC=C1C(CCC(NC1=NC(=CS1)CC(=O)OCC)=O)=O 29531316 +O1C(C(=O)OCC(NC2C=CC(=CC=2)OCC)=O)=C(C)C2C=C(C=CC1=2)OCC 4842392 +S(CC(NC1=C(C)C=CC=C1CC)=O)CCN1C(C2=CC=CC=C2C1=O)=O 4826704 +S(C1C=CSC=1C(=O)OC)(N1C(C(C2=CC=CC=C12)=O)=O)(=O)=O 22617819 +O=C(C1=C(C)ON=C1CC)N(CCO)C1CC1 43577354 +ClC1C=CC(=CC=1)CN1C([N+](C)=C2C(C1=O)=[N+]1C(=N2)N(C2C=CC(CCCC)=CC=2)CC(C)C1)=O 44983299 +S1C2C=C(C=CC=2N=C1N1C(C(C(=C(C2C=CC(C)=CC=2)O)[C@@H]1C1C=CC(=CC=1)C(C)(C)C)=O)=O)F 40993986 +ClC1C=CC(=CC=1)C(=CC1=CC=CC=N1)NC(=O)OCC.ClC1C=CC(=CC=1)C(=CC1=CC=CC=N1)NC(=O)OCC 355425 +O1C[C@H]([C@H]([C@H]([C@@H]1N1C(=O)OC2C=C(C=CC1=2)[N+](=O)[O-])OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O 21816743 +S(C1C=CC(C)=CC=1)(N1CCN(CCNC(CCC2CCCCC2)=O)CC1)(=O)=O 29196384 +ClC1=CC=CC(=C1C)NC(N(CC1C=CC=CC=1)[C@@H](C)C1CC1)=S 8747442 +ClC1C=CC(=C(C)C=1)NC([C@H]1CCCN1C(C12CC3CC(CC(C3)C1)C2)=O)=O 25642762 +ClC1=CC=CC=C1CNC1C=CN=C(C(N)=O)C=1 43517608 +O=C(C(C)(C)C(C)(C)CCCC(N)=O)N 21124809 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252049 +O(CC1C=CC=CC=1)C(COC1C=CC=CC=1)C/C(=C(/O)\OC)/[N+]#N 10831007 +C1(/CC=C(C2C=CC=CC=2)CC/1)=C1\CC=C(C2C=CC=CC=2)CC\1 9972837 +BrC1C=C(C)C=CC=1NC(C1C=CC=CC=1)CC(C(=O)OCC)(C)O 10916516 +N12C=C(C3C=CC(C)=CC=3)N(C3C=C(C)C=C(C)C=3)C1=NC(C1C=CC=CC=1)=C2C1C=CC=CC=1 16761658 +ClC1=C(C=C2C(=C1)C(C)=C(C(=O)O2)CC(NCC1C=CC(=CC=1)S(N)(=O)=O)=O)O 6227404 +S1C=CC2C1=CC1C(C=2)=C(C2=C(C3=CC=CC=C3C(=C2C=1C#C[Si](C(C)C)(C(C)C)C(C)C)OC)OC)C#C[Si](C(C)C)(C(C)C)C(C)C 17752482 +OC1CCCC(C1)NCC1C=CC=C2C=1OCCCO2 43751105 +O[C@H]([C@@H](C)OC)C[C@@H](C1C=CC=C(C=1)[N+](=O)[O-])O 21636620 +BrC1C=CC2=C3C=1CC(CC3CN2C(C1C=CC=CC=1)=O)N 14832043 +O(C1=CC=CC=C1C)CC[NH+](C)CC1=COC(C2C=CC=CC=2)=N1 40039267 +ClCC(N(C(=O)O)C)=O.S(C)C/C(/C)=N\O 20244279 +ClC1=C(C(NCCC)=O)C=CC(=C1)NC(C1CCCN1C(C1CCN(CC(NC2=CC=CC(=C2C)C(NC2CCCCC2C)=O)=O)CC1)=O)=O 50387367 +S=C(NNC(C1C=CC(=CC=1)OCCC(C)C)=O)NCC(=C)C 8742272 +O=C(C1C=CC=C(C=1)[N+](=O)[O-])N([C@@H](C(NC(C)(C)C)=O)C1=CC=CC=C1C)C1CCCCC1 51738207 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