File: MOL_00002.mol

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file content (109 lines) | stat: -rw-r--r-- 2,739 bytes parent folder | download | duplicates (4)
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MOL_00002
  Mrv2102 03172215042D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 47 50 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -34.2379 13.2618 0 0 CHG=-1
M  V30 2 C -35.0574 14.2669 0 0
M  V30 3 C -37.8557 14.2844 0 0
M  V30 4 C -38.7591 13.2933 0 0
M  V30 5 C -36.552 12.6832 0 0
M  V30 6 C -34.1529 8.3633 0 0 CHG=-1
M  V30 7 C -34.9724 9.3684 0 0
M  V30 8 C -37.7706 9.3859 0 0
M  V30 9 C -38.6741 8.3948 0 0
M  V30 10 C -36.4503 7.7679 0 0
M  V30 11 Fe -36.4351 10.9045 0 0 CHG=2
M  V30 12 * -36.5224 13.6046 0 0
M  V30 13 * -36.4041 8.6561 0 0
M  V30 14 P -32.6979 13.2618 0 0
M  V30 15 P -32.6129 8.3633 0 0
M  V30 16 C -33.0965 14.7493 0 0
M  V30 17 C -31.4761 14.1993 0 0
M  V30 18 C -33.7018 7.2743 0 0
M  V30 19 C -31.8429 7.0296 0 0
M  V30 20 Pd -31.258 11.0579 0 0 CHG=2
M  V30 21 Cl -30.169 9.9689 0 0 CHG=-1
M  V30 22 Cl -30.169 12.1468 0 0 CHG=-1
M  V30 23 C -30.1425 16.5093 0 0
M  V30 24 C -31.4761 15.7393 0 0
M  V30 25 C -30.1425 13.4293 0 0
M  V30 26 C -28.8089 14.1993 0 0
M  V30 27 C -28.8089 15.7393 0 0
M  V30 28 C -34.0483 17.6786 0 0
M  V30 29 C -35.0787 16.5342 0 0
M  V30 30 C -34.6028 15.0695 0 0
M  V30 31 C -32.066 15.8938 0 0
M  V30 32 C -32.5419 17.3584 0 0
M  V30 33 C -35.2269 7.4887 0 0
M  V30 34 C -36.175 6.2751 0 0
M  V30 35 C -35.5981 4.8472 0 0
M  V30 36 C -34.0731 4.6329 0 0
M  V30 37 C -33.125 5.8465 0 0
M  V30 38 C -32.3948 5.5919 0 0
M  V30 39 C -31.4256 4.3951 0 0
M  V30 40 C -29.9046 4.6359 0 0
M  V30 41 C -29.3528 6.0737 0 0
M  V30 42 C -30.3219 7.2705 0 0
M  V30 43 Cl -25.7997 10.7245 0 0
M  V30 44 C -24.2597 10.7245 0 0
M  V30 45 Cl -22.7197 10.7245 0 0
M  V30 46 H -24.2597 12.2645 0 0
M  V30 47 H -24.2597 9.1845 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 9 12 11 ENDPTS=(5 2 3 4 5 1) ATTACH=ALL
M  V30 2 4 1 5 CFG=1
M  V30 3 4 4 5 CFG=1
M  V30 4 4 4 3
M  V30 5 4 2 3
M  V30 6 4 1 2
M  V30 7 4 6 10 CFG=1
M  V30 8 4 9 10 CFG=1
M  V30 9 4 9 8
M  V30 10 4 7 8
M  V30 11 4 6 7
M  V30 12 9 13 11 ENDPTS=(5 7 8 9 10 6) ATTACH=ALL
M  V30 13 1 1 14
M  V30 14 1 6 15
M  V30 15 1 14 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 1 15 19
M  V30 19 9 14 20
M  V30 20 9 15 20
M  V30 21 9 21 20
M  V30 22 1 23 24
M  V30 23 2 25 26
M  V30 24 1 26 27
M  V30 25 2 23 27
M  V30 26 2 24 17
M  V30 27 1 17 25
M  V30 28 1 28 29
M  V30 29 2 29 30
M  V30 30 1 31 32
M  V30 31 2 28 32
M  V30 32 1 30 16
M  V30 33 2 16 31
M  V30 34 2 33 34
M  V30 35 1 34 35
M  V30 36 2 35 36
M  V30 37 1 36 37
M  V30 38 1 18 33
M  V30 39 2 18 37
M  V30 40 2 38 39
M  V30 41 1 39 40
M  V30 42 2 40 41
M  V30 43 1 41 42
M  V30 44 1 19 38
M  V30 45 2 19 42
M  V30 46 1 43 44
M  V30 47 1 44 45
M  V30 48 1 44 46
M  V30 49 1 44 47
M  V30 50 9 22 20
M  V30 END BOND
M  V30 END CTAB
M  END