
     RDKit          3D

 60 63  0  0  0  0  0  0  0  0999 V2000
    5.1383    0.8972    2.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0043   -0.8229    2.0719 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.1156   -1.1915    1.1275 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1549   -1.6307    3.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4467   -1.1694    1.3611 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2907   -0.4991    0.0529 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8912   -1.3710   -1.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939   -0.9915   -2.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7680    0.4035   -2.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6716    0.5134   -1.5613 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4918    1.2651   -1.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0752    1.2165   -3.1101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934    2.0871   -0.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4940    1.3875   -0.5975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6026    1.9323    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5577    3.2544    0.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6629    3.8277    1.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8281    3.0885    1.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8891    1.7716    0.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7929    1.1652    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9529   -0.3198   -0.1404 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2668   -0.8079   -1.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763   -2.0582   -1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4157   -1.9250   -0.0614 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4586   -0.9289   -0.3748 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -1.3688   -0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016   -0.1421   -0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1488   -1.5059    1.2551 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9482   -2.4606    2.2631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6602   -1.2400    1.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2888    1.1703    3.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0895    1.0578    3.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1264    1.5320    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606   -0.7676    2.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393    0.4697    0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009   -1.2697   -1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6574   -2.4439   -0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361   -1.7322   -2.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2462   -1.0342   -3.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5447    1.1695   -2.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3999    0.5736   -3.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    2.3154   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5418    3.0527   -1.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624    3.8507    0.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6097    4.8483    1.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6839    3.5302    1.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7981    1.2138    1.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0426   -0.4565   -0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0535   -1.0910   -2.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7102   -0.0031   -1.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813   -2.2343   -2.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0245   -2.9553   -1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544   -2.9367    0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432   -2.1231   -0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545   -1.8241    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4939    0.5712    0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020   -0.5522    1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4065   -3.2962    1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1877   -2.2078    0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0764   -0.8035    2.0068 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  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  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
 24 28  1  0
 28 29  1  0
 28 30  1  0
 27  6  1  0
 27 10  1  0
 20 15  1  0
 30 21  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
 16 44  1  0
 17 45  1  0
 18 46  1  0
 19 47  1  0
 21 48  1  6
 22 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 24 53  1  1
 26 54  1  0
 26 55  1  0
 27 56  1  0
 28 57  1  1
 29 58  1  0
 30 59  1  0
 30 60  1  0
M  END
$$$$
