
     RDKit          3D

 59 62  0  0  0  0  0  0  0  0999 V2000
    6.3260    0.7445   -0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7774    1.4488   -1.0151 S   0  0  0  0  0  6  0  0  0  0  0  0
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    5.0309    2.8572   -1.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    1.4957    0.3086 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2790    0.1376    0.7756 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0089    0.1427    2.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609    0.9571    2.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.4575    1.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398    0.4288    0.4572 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3771    1.5240   -0.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1832    2.0099   -1.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111    2.1840   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9959    1.5141    0.4502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3272    1.3229    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737    2.2613    0.2689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5708    2.0843   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5160    3.0642    0.1803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9639    0.9100   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0148   -0.0741   -1.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6844    0.1343   -0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6019   -0.8845   -0.8651 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3292   -1.6240    0.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963   -2.5448    0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2312   -2.1707   -0.8425 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0622   -2.5314   -2.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5082   -1.8669   -2.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910   -2.6658   -0.7871 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643   -1.9526    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230   -0.3827    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6297    1.2068    0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252   -0.3501   -0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0964    0.9388   -1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1252    2.0250    1.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -0.5579    0.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8854    0.5619    2.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8812   -0.8990    2.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9324    2.0322    2.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2707   -0.5562    2.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    1.1228    2.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9132    3.2473   -0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2555    3.9118    0.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9979    0.7666   -1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3191   -0.9910   -1.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7987   -0.1893   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2257   -2.2210    0.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1638   -0.8885    1.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319   -3.5971    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5575   -2.5019    1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0995   -1.1114   -0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5134   -2.1846   -3.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1709   -3.6374   -2.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2841   -2.6535   -1.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7102   -1.3243   -3.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -2.3932    0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380   -2.2032    1.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1849   -0.2469   -1.0713 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
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30  6  1  0
 30 10  1  0
 21 15  1  0
 27 22  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  5 34  1  0
  6 35  1  1
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 13 42  1  0
 13 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 22 47  1  6
 23 48  1  0
 23 49  1  0
 24 50  1  0
 24 51  1  0
 25 52  1  6
 26 53  1  0
 26 54  1  0
 27 55  1  0
 27 56  1  0
 29 57  1  0
 29 58  1  0
 30 59  1  0
M  END
$$$$
