HEM - Ideal 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 -2.161000 -0.125000 0.490000 0
M  V30 2 C 1.458000 -3.419000 0.306000 0
M  V30 3 C 4.701000 0.169000 -0.069000 0
M  V30 4 C 1.075000 3.460000 0.018000 0
M  V30 5 C -1.436000 -1.305000 0.380000 0
M  V30 6 C -2.015000 -2.587000 0.320000 0
M  V30 7 C -1.009000 -3.500000 0.270000 0
M  V30 8 C 0.216000 -2.803000 0.298000 0
M  V30 9 C -1.175000 -4.996000 0.197000 0
M  V30 10 C -3.490000 -2.893000 0.314000 0
M  V30 11 C -3.998000 -2.926000 -1.129000 0
M  V30 12 C -5.473000 -3.232000 -1.136000 0
M  V30 13 O -6.059000 -3.405000 -0.094000 0
M  V30 14 O -6.137000 -3.311000 -2.300000 0
M  V30 15 C 2.664000 -2.707000 0.308000 0
M  V30 16 C 3.937000 -3.328000 0.418000 0
M  V30 17 C 4.874000 -2.341000 0.314000 0
M  V30 18 C 4.117000 -1.079000 0.139000 0
M  V30 19 C 4.203000 -4.798000 0.613000 0
M  V30 20 C 6.339000 -2.497000 0.365000 0
M  V30 21 C 6.935000 -3.419000 -0.385000 0
M  V30 22 C 3.964000 1.345000 -0.174000 0
M  V30 23 C 4.531000 2.601000 -0.445000 0
M  V30 24 C 3.510000 3.536000 -0.437000 0
M  V30 25 C 2.304000 2.846000 -0.139000 0
M  V30 26 C 5.991000 2.880000 -0.697000 0
M  V30 27 C 3.649000 4.981000 -0.692000 0
M  V30 28 C 4.201000 5.407000 -1.823000 0
M  V30 29 C -0.102000 2.753000 0.298000 0
M  V30 30 C -1.382000 3.388000 0.641000 0
M  V30 31 C -2.283000 2.389000 0.774000 0
M  V30 32 C -1.561000 1.137000 0.511000 0
M  V30 33 C -1.639000 4.863000 0.811000 0
M  V30 34 C -3.741000 2.532000 1.123000 0
M  V30 35 C -4.573000 2.563000 -0.160000 0
M  V30 36 C -6.032000 2.706000 0.189000 0
M  V30 37 O -6.372000 2.776000 1.347000 0
M  V30 38 O -6.954000 2.755000 -0.785000 0
M  V30 39 N -0.068000 -1.456000 0.321000 0
M  V30 40 N 2.820000 -1.386000 0.207000 0
M  V30 41 N 2.604000 1.506000 -0.033000 0
M  V30 42 N -0.276000 1.431000 0.298000 0
M  V30 43 Fe 1.010000 0.157000 -0.060000 0 CFG=1 VAL=4
M  V30 44 H 1.498000 -4.508000 0.309000 0
M  V30 45 H 5.786000 0.229000 -0.153000 0
M  V30 46 H 1.018000 4.543000 -0.083000 0
M  V30 47 H -1.220000 -5.306000 -0.847000 0
M  V30 48 H -0.328000 -5.480000 0.683000 0
M  V30 49 H -2.097000 -5.285000 0.702000 0
M  V30 50 H -3.662000 -3.862000 0.782000 0
M  V30 51 H -4.024000 -2.121000 0.869000 0
M  V30 52 H -3.825000 -1.956000 -1.597000 0
M  V30 53 H -3.464000 -3.697000 -1.684000 0
M  V30 54 H 3.256000 -5.336000 0.660000 0
M  V30 55 H 4.794000 -5.175000 -0.222000 0
M  V30 56 H 4.752000 -4.948000 1.543000 0
M  V30 57 H 6.927000 -1.863000 1.011000 0
M  V30 58 H 7.994000 -3.600000 -0.277000 0
M  V30 59 H 6.360000 -3.987000 -1.102000 0
M  V30 60 H 6.554000 1.949000 -0.639000 0
M  V30 61 H 6.110000 3.316000 -1.689000 0
M  V30 62 H 6.362000 3.578000 0.053000 0
M  V30 63 H 3.303000 5.694000 0.042000 0
M  V30 64 H 4.614000 4.696000 -2.523000 0
M  V30 65 H 4.235000 6.464000 -2.043000 0
M  V30 66 H -0.715000 5.415000 0.639000 0
M  V30 67 H -2.394000 5.185000 0.094000 0
M  V30 68 H -1.994000 5.055000 1.824000 0
M  V30 69 H -4.052000 1.687000 1.738000 0
M  V30 70 H -3.893000 3.459000 1.677000 0
M  V30 71 H -4.262000 3.408000 -0.775000 0
M  V30 72 H -4.421000 1.636000 -0.714000 0
M  V30 73 H -7.082000 -3.510000 -2.254000 0
M  V30 74 H -7.877000 2.847000 -0.512000 0
M  V30 75 H -3.246000 -0.188000 0.567000 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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