HEM - Model conformer
     RDKit          3D

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 75 82 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.748000 -19.531000 39.896000 0
M  V30 2 C 3.258000 -17.744000 35.477000 0
M  V30 3 C 1.703000 -21.900000 33.637000 0
M  V30 4 C 1.149000 -23.677000 38.059000 0
M  V30 5 C 3.031000 -18.673000 38.872000 0
M  V30 6 C 3.578000 -17.325000 39.013000 0
M  V30 7 C 3.705000 -16.820000 37.785000 0
M  V30 8 C 3.256000 -17.863000 36.862000 0
M  V30 9 C 4.227000 -15.469000 37.393000 0
M  V30 10 C 3.945000 -16.670000 40.296000 0
M  V30 11 C 5.391000 -17.138000 40.581000 0
M  V30 12 C 6.095000 -16.663000 41.825000 0
M  V30 13 O 7.098000 -15.928000 41.683000 0
M  V30 14 O 5.657000 -17.040000 42.940000 0
M  V30 15 C 2.888000 -18.698000 34.579000 0
M  V30 16 C 2.933000 -18.535000 33.146000 0
M  V30 17 C 2.499000 -19.716000 32.632000 0
M  V30 18 C 2.187000 -20.580000 33.743000 0
M  V30 19 C 3.391000 -17.290000 32.422000 0
M  V30 20 C 2.345000 -20.140000 31.217000 0
M  V30 21 C 1.755000 -19.492000 30.233000 0
M  V30 22 C 1.395000 -22.786000 34.659000 0
M  V30 23 C 0.854000 -24.130000 34.500000 0
M  V30 24 C 0.689000 -24.626000 35.757000 0
M  V30 25 C 1.139000 -23.583000 36.674000 0
M  V30 26 C 0.550000 -24.782000 33.175000 0
M  V30 27 C 0.164000 -25.943000 36.196000 0
M  V30 28 C 0.498000 -27.158000 35.750000 0
M  V30 29 C 1.550000 -22.718000 38.980000 0
M  V30 30 C 1.513000 -22.879000 40.415000 0
M  V30 31 C 1.951000 -21.691000 40.929000 0
M  V30 32 C 2.277000 -20.826000 39.811000 0
M  V30 33 C 1.055000 -24.094000 41.156000 0
M  V30 34 C 2.048000 -21.326000 42.352000 0
M  V30 35 C 0.741000 -20.498000 42.530000 0
M  V30 36 C 0.578000 -19.987000 43.892000 0
M  V30 37 O 1.387000 -19.103000 44.303000 0
M  V30 38 O -0.401000 -20.468000 44.537000 0
M  V30 39 N 2.863000 -18.969000 37.554000 0
M  V30 40 N 2.439000 -19.944000 34.911000 0
M  V30 41 N 1.537000 -22.509000 35.976000 0
M  V30 42 N 2.008000 -21.465000 38.663000 0
M  V30 43 Fe 2.196000 -20.749000 36.814000 0 CFG=2 VAL=4
M  V30 44 H 3.587000 -16.798000 35.072000 0
M  V30 45 H 1.553000 -22.268000 32.633000 0
M  V30 46 H 0.802000 -24.613000 38.472000 0
M  V30 47 H 5.316000 -15.524000 37.249000 0
M  V30 48 H 3.749000 -15.149000 36.455000 0
M  V30 49 H 3.998000 -14.743000 38.187000 0
M  V30 50 H 3.905000 -15.575000 40.197000 0
M  V30 51 H 3.268000 -16.991000 41.102000 0
M  V30 52 H 5.368000 -18.237000 40.627000 0
M  V30 53 H 6.004000 -16.819000 39.725000 0
M  V30 54 H 3.319000 -17.449000 31.336000 0
M  V30 55 H 2.753000 -16.442000 32.711000 0
M  V30 56 H 4.435000 -17.072000 32.692000 0
M  V30 57 H 2.770000 -21.100000 30.963000 0
M  V30 58 H 1.719000 -19.927000 29.245000 0
M  V30 59 H 1.308000 -18.526000 30.414000 0
M  V30 60 H 0.153000 -25.793000 33.346000 0
M  V30 61 H -0.196000 -24.182000 32.634000 0
M  V30 62 H 1.472000 -24.846000 32.578000 0
M  V30 63 H -0.583000 -25.916000 36.975000 0
M  V30 64 H 0.027000 -28.035000 36.169000 0
M  V30 65 H 1.239000 -27.263000 34.971000 0
M  V30 66 H 1.142000 -23.919000 42.238000 0
M  V30 67 H 0.006000 -24.304000 40.902000 0
M  V30 68 H 1.680000 -24.954000 40.872000 0
M  V30 69 H 2.055000 -22.216000 42.999000 0
M  V30 70 H 2.943000 -20.719000 42.554000 0
M  V30 71 H 0.767000 -19.646000 41.835000 0
M  V30 72 H -0.119000 -21.141000 42.290000 0
M  V30 73 H 6.201000 -16.682000 43.632000 0
M  V30 74 H -0.445000 -20.063000 45.395000 0
M  V30 75 H 2.913000 -19.150000 40.893000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 5
M  V30 2 2 1 32
M  V30 3 1 1 75
M  V30 4 1 2 8
M  V30 5 2 2 15
M  V30 6 1 2 44
M  V30 7 1 3 18
M  V30 8 2 3 22
M  V30 9 1 3 45
M  V30 10 2 4 25
M  V30 11 1 4 29
M  V30 12 1 4 46
M  V30 13 2 5 6
M  V30 14 1 5 39
M  V30 15 1 6 7
M  V30 16 1 6 10
M  V30 17 2 7 8
M  V30 18 1 7 9
M  V30 19 1 8 39
M  V30 20 1 9 47
M  V30 21 1 9 48
M  V30 22 1 9 49
M  V30 23 1 10 11
M  V30 24 1 10 50
M  V30 25 1 10 51
M  V30 26 1 11 12
M  V30 27 1 11 52
M  V30 28 1 11 53
M  V30 29 2 12 13
M  V30 30 1 12 14
M  V30 31 1 15 16
M  V30 32 1 15 40
M  V30 33 2 16 17
M  V30 34 1 16 19
M  V30 35 1 17 18
M  V30 36 1 17 20
M  V30 37 2 18 40
M  V30 38 1 19 54
M  V30 39 1 19 55
M  V30 40 1 19 56
M  V30 41 2 20 21
M  V30 42 1 20 57
M  V30 43 1 21 58
M  V30 44 1 21 59
M  V30 45 1 22 23
M  V30 46 1 22 41
M  V30 47 2 23 24
M  V30 48 1 23 26
M  V30 49 1 24 25
M  V30 50 1 24 27
M  V30 51 1 25 41
M  V30 52 1 26 60
M  V30 53 1 26 61
M  V30 54 1 26 62
M  V30 55 2 27 28
M  V30 56 1 27 63
M  V30 57 1 28 64
M  V30 58 1 28 65
M  V30 59 1 29 30
M  V30 60 2 29 42
M  V30 61 2 30 31
M  V30 62 1 30 33
M  V30 63 1 31 32
M  V30 64 1 31 34
M  V30 65 1 32 42
M  V30 66 1 33 66
M  V30 67 1 33 67
M  V30 68 1 33 68
M  V30 69 1 34 35
M  V30 70 1 34 69
M  V30 71 1 34 70
M  V30 72 1 35 36
M  V30 73 1 35 71
M  V30 74 1 35 72
M  V30 75 2 36 37
M  V30 76 1 36 38
M  V30 77 1 14 73
M  V30 78 1 38 74
M  V30 79 1 43 39
M  V30 80 9 40 43
M  V30 81 1 43 41
M  V30 82 9 42 43
M  V30 END BOND
M  V30 END CTAB
M  END
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