File: DoubleBond3000Chiral.mol

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file content (65 lines) | stat: -rw-r--r-- 1,483 bytes parent folder | download | duplicates (4)
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  Mrv2311 08232314512D          

  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 -0.6669 0.3603 0 0
M  V30 2 C 0.6668 1.1303 0 0
M  V30 3 C 0.6668 2.6703 0 0
M  V30 4 C 2.0005 3.4403 0 0 CFG=1
M  V30 5 C 1.0106 4.62 0 0
M  V30 6 C 2.9904 4.62 0 0
M  V30 7 C 3.9803 5.7997 0 0
M  V30 8 C 1.8107 5.6099 0 0
M  V30 9 C 4.1701 3.6301 0 0
M  V30 10 C 3.3342 2.6703 0 0
M  V30 11 C 3.3342 1.1303 0 0
M  V30 12 C 4.6679 0.3603 0 0
M  V30 13 C 2.0005 0.3603 0 0
M  V30 14 C 2.0005 -1.1797 0 0
M  V30 15 C 0.6668 -1.9497 0 0
M  V30 16 C 0.6668 -3.4897 0 0
M  V30 17 C -0.6669 -4.2597 0 0
M  V30 18 C -0.6669 -5.7997 0 0
M  V30 19 C -2.0005 -3.4897 0 0
M  V30 20 Cl -3.3342 -4.2597 0 0
M  V30 21 C -2.0005 -1.9497 0 0
M  V30 22 C -3.3342 -1.1797 0 0
M  V30 23 C -3.3342 0.3603 0 0 CFG=2
M  V30 24 C -4.6679 1.1303 0 0
M  V30 25 Cl -2.0005 1.1303 0 0
M  V30 26 C -0.6669 -1.1797 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 CFG=1
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