
     RDKit          3D

 97101  0  0  0  0  0  0  0  0999 V2000
   -5.6652    5.8172    0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7409    4.9397    0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4939    4.1348   -1.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5550    2.8594   -0.3446 S   0  0  0  0  0  6  0  0  0  0  0  0
   -7.7427    3.4813    0.3424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0598    1.9997   -1.4737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6668    1.8771    0.7803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7098    2.1632    2.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8311    0.8195    0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4055   -0.2724   -0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6021   -1.3044   -0.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103   -1.2171   -0.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6120   -0.1573   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4468    0.8611    0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410   -0.1038    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6902    0.8226    0.9981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2348   -1.1049   -0.2442 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128   -1.0978    0.0328 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9413   -0.1768   -0.9999 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2606   -0.6177   -1.2219 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9702    1.3142   -0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3606    1.4907    0.8314 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250    2.0346    0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8773    1.1993    0.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0723   -0.0898    1.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1385   -0.8696    0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313   -0.3565   -0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8573    0.9322   -0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8969    1.5074   -1.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    2.0756   -3.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7464    2.5657   -1.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7637    1.7041   -0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8684    3.5327    1.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818    2.5632    2.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620   -2.5493   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141   -3.4271    1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5941   -3.4194    2.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -4.2294    3.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854   -5.0456    2.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984   -5.0454    1.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0128   -4.2426    0.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6994   -5.8707    1.4131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790   -5.6253    0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5791   -4.4504    0.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8843   -4.3645   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7110   -3.8028   -1.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2177   -2.4260   -1.5283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0559    6.5175    1.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2824    5.1989    1.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3312    6.4097    0.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1612    4.2545    0.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0082    5.6052   -0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7525    3.6386   -1.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0787    4.8159   -1.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8887    1.2281    2.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5207    2.8768    2.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7441    2.5957    2.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4857   -0.3353   -0.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -1.9836   -1.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0321    1.7039    1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6204   -1.9753   -0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3877   -0.7385    1.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.2424   -1.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5322   -0.2887   -2.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6363    1.8830   -1.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9496    1.7311   -0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636    2.1487    1.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3863   -0.4920    1.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -1.8695    0.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8680   -0.9655   -0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5916    0.7001   -2.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6472    2.9686   -2.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6288    1.3020   -3.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0670    2.3681   -3.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5589    2.9334   -1.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2159    2.1152   -0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1217    3.4340   -0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6063    2.7036   -0.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    3.9924    0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9251    4.1242    1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    2.5997    3.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0175    2.4744    2.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8536   -2.5450    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210   -2.9842   -1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4384   -2.7992    2.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3743   -4.2183    4.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5403   -5.6703    3.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383   -4.2784   -0.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2035   -5.4357   -0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2984   -6.5461    0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552   -4.5846    1.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0110   -3.5011    0.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6063   -3.7371    0.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3403   -5.3729   -0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3026   -4.4381   -2.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6591   -3.8696   -1.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1508   -2.2803   -1.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 28 32  2  0
 23 33  1  0
 33 34  1  0
 18 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 14  9  1  0
 34 23  1  0
 41 36  1  0
 47 11  1  0
 32 24  1  0
  1 48  1  0
  1 49  1  0
  1 50  1  0
  2 51  1  0
  2 52  1  0
  3 53  1  0
  3 54  1  0
  8 55  1  0
  8 56  1  0
  8 57  1  0
 10 58  1  0
 12 59  1  0
 14 60  1  0
 17 61  1  0
 18 62  1  1
 19 63  1  6
 20 64  1  0
 21 65  1  0
 21 66  1  0
 22 67  1  0
 25 68  1  0
 26 69  1  0
 27 70  1  0
 29 71  1  0
 30 72  1  0
 30 73  1  0
 30 74  1  0
 31 75  1  0
 31 76  1  0
 31 77  1  0
 32 78  1  0
 33 79  1  0
 33 80  1  0
 34 81  1  0
 34 82  1  0
 35 83  1  0
 35 84  1  0
 37 85  1  0
 38 86  1  0
 39 87  1  0
 41 88  1  0
 43 89  1  0
 43 90  1  0
 44 91  1  0
 44 92  1  0
 45 93  1  0
 45 94  1  0
 46 95  1  0
 46 96  1  0
 47 97  1  0
M  END
$$$$
