HMLIN0501
     RDKit          3D

 50 50  0  0  1  0  0  0  0  0999 V2000
  -16.6492    4.6440   -1.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1386    2.7994   -1.6004 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.2978    1.5689   -1.0780 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.5416    0.2786   -0.5699 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.1976   -0.0184   -0.4755 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.2627    0.1147    0.1670 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.0326   -0.4377   -0.9450 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.8579   -0.5080   -0.5741 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9903   -0.4373    0.3894 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2795   -1.0547    0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2978    1.0505    1.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6848   -0.5502   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0577   -0.9941   -0.0823 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.5632    0.0864    0.3918 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.8160   -0.1016   -0.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7187    0.0731   -0.0990 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9599   -1.2357   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2030   -2.0170    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7795    0.9925    1.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5159   -0.4477   -0.4456 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6669   -0.6158    0.4258 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5000   -0.5755    0.8378 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7007   -0.7210    0.4873 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.3426   -1.3397   -0.2157 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.4964    1.8956    1.8187 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.4013   -2.7200   -0.6852 C   0  0  0  0  0  3  0  0  0  0  0  0
   20.4956    0.9866    1.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3471   -3.1210   -2.2279 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.3786   -3.9924    0.2692 C   0  0  0  0  0  1  0  0  0  0  0  0
  -17.3748    5.5955   -1.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6302    4.3318    0.1519 N   0  0  0  0  0  1  0  0  0  0  0  0
  -15.9291    3.9298   -2.1526 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0171   -1.9581    1.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.9918    1.5926 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6628    0.6752   -0.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1731   -0.6526    0.0835 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.9321   -0.4406    0.0014 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.7211   -0.7122    1.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9878   -0.3246    0.3869 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8153   -0.4100   -1.4968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4227   -0.2796    0.0117 N   0  0  0  0  0  2  0  0  0  0  0  0
   15.7345    0.0529    0.3160 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.7377   -1.3690    0.0102 N   0  0  0  0  0  2  0  0  0  0  0  0
   19.9191    0.0504    0.4370 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6248    0.1272   -2.1432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6780   -2.3749   -0.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5062   -2.1354    1.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8506    1.9244    1.9168 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3047    0.9868    1.3003 S   0  0  0  0  0  1  0  0  0  0  0  0
  -14.7725   -2.6114   -0.7009 O   0  0  0  0  0  1  0  0  0  0  0  0
  1 30  2  0
  1 31  1  0
  1 32  1  0
  2  3  1  0
  2 32  1  0
  3  4  1  0
  5 15  1  0
  5 16  1  0
  6 16  1  0
  6 42  1  0
  7 20  1  0
  7 40  1  0
  8 21  1  0
  8 40  1  0
  9 22  1  0
  9 41  1  0
 10 23  1  0
 10 33  2  0
 10 41  1  0
 11 19  1  0
 11 34  2  0
 11 42  1  0
 12 35  2  0
 12 43  1  0
 13  4  1  0
 13 18  1  0
 13 43  1  0
 14 19  2  0
 14 44  1  0
 15 37  1  0
 15 45  2  0
 17 36  1  0
 17 39  1  0
 17 46  2  0
 18 47  2  0
 18 50  1  0
 19 25  1  0
 20 37  1  0
 21 38  1  0
 22 38  1  0
 23 39  1  0
 24 12  1  0
 24 26  1  0
 24 36  1  0
 25 48  2  0
 26 28  1  0
 26 29  1  0
 27 44  2  0
 27 48  1  0
 27 49  1  0
M  RAD  8   2   3   3   3   4   3   5   3   6   3   7   3   8   3   9   3
M  RAD  8  13   2  14   2  16   3  20   3  21   3  22   3  23   3  24   2
M  RAD  8  25   2  26   2  28   2  29   2  31   3  32   2  36   2  37   2
M  RAD  5  41   2  42   2  43   2  49   2  50   2
M  END
$$$$
