File: MOL_00012.mol

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file content (61 lines) | stat: -rw-r--r-- 1,518 bytes parent folder | download | duplicates (4)
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MOL_00012
  Mrv2102 04012207312D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 3.1384 -13.9488 0 0
M  V30 2 C 1.8504 -12.6609 0 0
M  V30 3 C 1.8152 -10.8279 0 0
M  V30 4 C 3.3133 -9.4032 0 0
M  V30 5 C 4.9262 -9.3652 0 0
M  V30 6 C 3.3548 -11.1663 0 0
M  V30 7 C 4.678 -13.9839 0 0
M  V30 8 C 8.6612 -10.7441 0 0
M  V30 9 C 8.1101 -11.9819 0 0
M  V30 10 C 8.9064 -13.078 0 0
M  V30 11 C 10.2539 -12.9363 0 0
M  V30 12 C 10.805 -11.6987 0 0
M  V30 13 C 10.0086 -10.6026 0 0
M  V30 14 O 7.8648 -9.648 0 0
M  V30 15 O 11.0503 -14.0324 0 0
M  V30 16 * 8.5083 -12.5299 0 0
M  V30 17 * 10.4068 -11.1506 0 0
M  V30 18 C 3.3117 -12.5095 0 0
M  V30 19 * 3.9082 -13.9664 0 0
M  V30 20 * 4.1197 -9.3842 0 0
M  V30 21 Ni 5.6085 -11.7302 0 0
M  V30 22 C 10.635 -9.1957 0 0
M  V30 23 C 12.3366 -11.5377 0 0
M  V30 24 C 8.2801 -14.4848 0 0
M  V30 25 C 6.7722 -10.6857 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 9 25
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 2 4 5
M  V30 6 1 5 6
M  V30 7 2 7 1
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 8 13
M  V30 14 2 8 14
M  V30 15 2 11 15
M  V30 16 1 6 18
M  V30 17 1 18 7
M  V30 18 9 20 21 ENDPTS=(2 4 5) ATTACH=ALL
M  V30 19 9 19 21 ENDPTS=(2 7 1) ATTACH=ALL
M  V30 20 9 16 21 ENDPTS=(2 10 9) ATTACH=ALL
M  V30 21 9 17 21 ENDPTS=(2 13 12) ATTACH=ALL
M  V30 22 1 13 22
M  V30 23 1 12 23
M  V30 24 1 10 24
M  V30 END BOND
M  V30 END CTAB
M  END