Property:Molfile
From ChemWiki
M
-INDIGO-05142416252D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 51 62 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.63485 -4.15007 0.0 0
M V30 2 C 7.36515 -4.14959 0.0 0
M V30 3 C 6.50164 -3.64997 0.0 0
M V30 4 N 7.36515 -5.15053 0.0 0
M V30 5 C 5.63485 -5.15502 0.0 0
M V30 6 C 6.50382 -5.65003 0.0 0
M V30 7 C 8.23141 -3.64999 0.0 0
M V30 8 C 9.09513 -2.15069 0.0 0
M V30 9 C 8.23103 -2.64928 0.0 0
M V30 10 C 9.96231 -2.65058 0.0 0
M V30 11 N 9.10205 -4.15188 0.0 0
M V30 12 C 9.9649 -3.64626 0.0 0
M V30 13 C 10.8332 -4.14233 0.0 0
M V30 14 C 12.5635 -4.14069 0.0 0
M V30 15 C 11.6996 -3.64164 0.0 0
M V30 16 C 12.5641 -5.14163 0.0 0
M V30 17 N 10.8338 -5.14728 0.0 0
M V30 18 C 11.7032 -5.64171 0.0 0
M V30 19 Fe 9.125 -5.95 0.0 0
M V30 20 C 5.70985 -6.65007 0.0 0
M V30 21 N 7.44015 -6.64959 0.0 0
M V30 22 C 6.57664 -6.14997 0.0 0
M V30 23 C 7.44015 -7.65053 0.0 0
M V30 24 C 5.70985 -7.65502 0.0 0
M V30 25 C 6.57882 -8.15003 0.0 0
M V30 26 C 8.30666 -8.1497 0.0 0
M V30 27 C 10.037 -8.14805 0.0 0
M V30 28 N 9.17311 -7.64901 0.0 0
M V30 29 C 10.0376 -9.149 0.0 0
M V30 30 C 8.30733 -9.15464 0.0 0
M V30 31 C 9.17663 -9.64907 0.0 0
M V30 32 C 10.9029 -7.64788 0.0 0
M V30 33 C 11.7666 -6.14857 0.0 0
M V30 34 N 10.9025 -6.64716 0.0 0
M V30 35 C 12.6338 -6.64846 0.0 0
M V30 36 C 11.7735 -8.14977 0.0 0
M V30 37 C 12.6364 -7.64414 0.0 0
M V30 38 C 9.09493 -1.15069 0.0 0
M V30 39 C 9.18116 -10.6491 0.0 0
M V30 40 C 10.0477 -12.1467 0.0 0
M V30 41 C 10.048 -11.1491 0.0 0
M V30 42 C 9.18123 -12.6478 0.0 0
M V30 43 C 8.31119 -11.1521 0.0 0
M V30 44 C 8.31765 -12.1522 0.0 0
M V30 45 C 8.22835 0.346977 0.0 0
M V30 46 C 8.22809 -0.650659 0.0 0
M V30 47 C 9.09486 0.848029 0.0 0
M V30 48 C 9.9649 -0.647629 0.0 0
M V30 49 C 9.95844 0.352425 0.0 0
M V30 50 R# 9.09323 1.84803 0.0 0 RGROUPS=(1 1)
M V30 51 R# 9.18286 -13.6478 0.0 0 RGROUPS=(1 1)
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 2 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 1 12 13
M V30 15 2 15 13
M V30 16 2 16 14
M V30 17 1 13 17
M V30 18 1 14 15
M V30 19 2 17 18
M V30 20 1 18 16
M V30 21 2 22 20
M V30 22 2 23 21
M V30 23 1 20 24
M V30 24 1 21 22
M V30 25 2 24 25
M V30 26 1 25 23
M V30 27 1 23 26
M V30 28 2 28 26
M V30 29 2 29 27
M V30 30 1 26 30
M V30 31 1 27 28
M V30 32 2 30 31
M V30 33 1 31 29
M V30 34 1 27 32
M V30 35 2 34 32
M V30 36 2 35 33
M V30 37 1 32 36
M V30 38 1 33 34
M V30 39 2 36 37
M V30 40 1 37 35
M V30 41 1 8 38
M V30 42 1 31 39
M V30 43 2 41 39
M V30 44 2 42 40
M V30 45 1 39 43
M V30 46 1 40 41
M V30 47 2 43 44
M V30 48 1 44 42
M V30 49 2 46 38
M V30 50 2 47 45
M V30 51 1 38 48
M V30 52 1 45 46
M V30 53 2 48 49
M V30 54 1 49 47
M V30 55 1 47 50
M V30 56 1 42 51
M V30 57 8 4 19
M V30 58 8 11 19
M V30 59 8 19 17
M V30 60 8 19 28
M V30 61 8 19 21
M V30 62 8 19 34
M V30 END BOND
M V30 END CTAB
M END
