
     RDKit          3D

 60 63  0  0  0  0  0  0  0  0999 V2000
    6.4153    1.1609    1.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2731    0.8546   -0.2745 S   0  0  0  0  0  6  0  0  0  0  0  0
    5.1586   -0.6264   -0.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8011    1.5124   -1.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7146    1.5252    0.1201 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.8503    1.2869 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0431    1.8559    2.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884    2.9348    2.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    2.2971    1.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900    1.3439    0.8813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255    1.6444   -0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6111    2.0428   -1.3547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5255    1.7209   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0782    0.4249   -0.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3980    0.0855   -0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4551    0.9702   -0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7744    0.6183   -0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8550    1.4854   -0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7294    2.1754    0.2350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0487   -0.6083   -1.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0091   -1.4917   -1.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6746   -1.1580   -1.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5733   -2.1637   -1.3795 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5030   -1.5455   -2.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1576   -2.2837   -2.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3251   -2.5635   -0.8950 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6926   -3.4867   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0309   -2.7614   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795   -1.3630   -0.1416 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608   -0.7785   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6958    0.2652    1.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9989    0.7702    2.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    0.6602    0.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5835    2.2579    1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1137    1.4835   -0.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7351    0.0015    1.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7939    1.3243    3.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0386    2.3348    2.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2675    3.5277    1.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9371    3.6213    3.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2981    1.7662    2.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1269    3.1032    1.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803    2.4365    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8705    2.0940   -1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2550    1.9132    0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0721   -0.8877   -1.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2447   -2.4443   -1.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0123   -3.0213   -1.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2929   -0.4829   -2.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9041   -1.5550   -3.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2630   -3.2432   -2.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059   -1.6746   -2.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3001   -3.1068   -0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -4.4155   -0.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138   -3.7782    0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9065   -1.9747    0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7712   -3.4851    0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4540   -1.5348    0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.3183   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4219   -0.3102    1.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  3  0
 17 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 31  6  1  0
 31 10  1  0
 22 15  1  0
 28 23  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  5 35  1  0
  6 36  1  1
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 13 43  1  0
 13 44  1  0
 16 45  1  0
 20 46  1  0
 21 47  1  0
 23 48  1  6
 24 49  1  0
 24 50  1  0
 25 51  1  0
 25 52  1  0
 26 53  1  6
 27 54  1  0
 27 55  1  0
 28 56  1  0
 28 57  1  0
 30 58  1  0
 30 59  1  0
 31 60  1  0
M  END
$$$$
