1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48
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RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 16 17 0 0 0
M V30 BEGIN ATOM
M V30 1 C -1.395927 -1.939073 0.000000 0
M V30 2 C -2.729473 -2.709073 0.000000 0
M V30 3 C -2.729473 -4.249260 0.000000 0
M V30 4 C -1.395927 -5.019260 0.000000 0
M V30 5 C -0.062193 -4.249260 0.000000 0
M V30 6 C -0.062193 -2.709073 0.000000 0
M V30 7 C -1.395973 -0.399073 0.000000 0
M V30 8 N 1.271479 -1.939062 0.000000 0
M V30 9 C -4.063169 -1.939102 0.000000 0
M V30 10 C -0.062403 0.370886 0.000000 0
M V30 11 C -0.062357 1.911073 0.000000 0
M V30 12 C -1.395880 2.681113 0.000000 0
M V30 13 C -2.729637 1.911154 0.000000 0
M V30 14 C -2.729683 0.370967 0.000000 0
M V30 15 O 1.271269 -0.399126 0.000000 0
M V30 16 C -4.063379 -0.399004 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 2 3 4
M V30 4 1 4 5
M V30 5 2 5 6
M V30 6 1 1 6 CFG=1
M V30 7 1 1 7
M V30 8 1 2 9
M V30 9 2 10 11
M V30 10 1 11 12
M V30 11 2 12 13
M V30 12 1 13 14
M V30 13 1 7 10
M V30 14 2 7 14
M V30 15 1 14 16
M V30 16 1 10 15
M V30 17 1 6 8
M V30 END BOND
M V30 BEGIN COLLECTION
M V30 MDLV30/STEREL1 ATOMS=(1 1)
M V30 END COLLECTION
M V30 END CTAB
M END
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