File: DoubleBond3000.mol

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file content (65 lines) | stat: -rw-r--r-- 1,467 bytes parent folder | download | duplicates (2)
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  Mrv2309 06302313122D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 27 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -0.989 0.8186 0 0
M  V30 2 C 0.3447 1.5886 0 0
M  V30 3 C 0.3447 3.1286 0 0
M  V30 4 C 1.6784 3.8986 0 0
M  V30 5 C 0.6885 5.0783 0 0
M  V30 6 C 2.6683 5.0783 0 0
M  V30 7 C 3.6582 6.258 0 0
M  V30 8 C 1.4886 6.0682 0 0
M  V30 9 C 3.848 4.0884 0 0
M  V30 10 C 3.0121 3.1286 0 0
M  V30 11 C 3.0121 1.5886 0 0
M  V30 12 C 4.3458 0.8186 0 0
M  V30 13 C 1.6784 0.8186 0 0
M  V30 14 C 1.6784 -0.7214 0 0
M  V30 15 C 0.3447 -1.4914 0 0
M  V30 16 C 0.3447 -3.0314 0 0
M  V30 17 C -0.989 -3.8014 0 0
M  V30 18 C -0.989 -5.3414 0 0
M  V30 19 C -2.3226 -3.0314 0 0
M  V30 20 Cl -3.6563 -3.8014 0 0
M  V30 21 C -2.3226 -1.4914 0 0
M  V30 22 C -3.6563 -0.7214 0 0
M  V30 23 C -3.6563 0.8186 0 0 CFG=2
M  V30 24 C -4.99 1.5886 0 0
M  V30 25 Cl -2.3226 1.5886 0 0
M  V30 26 C -0.989 -0.7214 0 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 1 4 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 6 8
M  V30 8 1 6 9
M  V30 9 1 4 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 2 13
M  V30 14 2 13 14
M  V30 15 1 14 15
M  V30 16 2 15 16
M  V30 17 1 16 17
M  V30 18 1 17 18
M  V30 19 2 17 19
M  V30 20 1 19 20
M  V30 21 1 19 21
M  V30 22 1 21 22
M  V30 23 1 23 22
M  V30 24 1 23 24
M  V30 25 1 23 25 CFG=3
M  V30 26 2 21 26
M  V30 27 1 15 26
M  V30 END BOND
M  V30 END CTAB
M  END