
     RDKit          3D

 93 96  0  0  0  0  0  0  0  0999 V2000
    0.6712    0.3969   -2.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5989    0.0314   -1.4744 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4803   -1.0678   -1.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7055   -1.4473    0.1473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5441   -2.8772    0.5215 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9050   -3.5448    0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595   -3.0866    1.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1385   -2.9561    2.9457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343   -0.5133    1.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5078   -0.8302    2.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8139    0.8149    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9882    0.9267   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4648    2.1901   -0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6433    2.3295   -1.3162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8090    1.5007   -1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9326    0.7235   -0.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8681    1.6270   -2.1552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0219    0.7698   -2.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9410   -0.5986   -1.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0747   -1.4130   -1.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2916   -0.8760   -2.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3873   -1.6695   -2.5107 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3756    0.4776   -2.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2452    1.2953   -2.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7390    3.3370   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5751    3.2305    0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1133    1.9768    1.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0858    1.8847    1.7275 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1352    1.7571    3.1453 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2476    3.1396    3.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2754    0.7987    3.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7092    1.3188    3.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260    1.5010    1.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2282    0.1851    1.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679   -0.1651    0.5131 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0108   -0.2899   -0.9032 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5229   -1.6940   -1.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -1.8069   -1.0990 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3620   -3.1921   -0.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -1.2203   -2.4804 S   0  0  0  0  0  6  0  0  0  0  0  0
    5.4101   -2.3638   -3.3064 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334   -0.3387   -3.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2373   -0.2705   -1.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7534   -0.3040   -0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7483    0.5947   -0.5674 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5752    0.9108    0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8196    1.1435   -1.7965 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8979    0.6354   -2.6435 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9738   -0.4739   -3.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    1.2241   -3.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219    0.7459   -3.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606    0.9573   -0.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4425   -0.7159   -1.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082   -1.9501   -1.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1077   -3.4360   -0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5513   -3.4155   -0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4245   -3.1107    1.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7676   -4.6322    0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2842   -2.3518    1.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9306   -4.0929    1.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904   -3.8500    3.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5116    0.0276   -0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6924    3.1408   -1.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8417    2.4526   -2.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9998   -1.0474   -1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0053   -2.4638   -1.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3157    0.8937   -3.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3230    2.3415   -2.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0787    4.3158   -0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0238    4.1237    0.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8122    1.3018    3.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796    3.7192    3.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    3.7032    3.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4111    3.0453    4.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1639    0.5735    4.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1444   -0.1684    3.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132    0.6022    3.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8453    2.2806    3.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1358    1.9678    1.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4684    2.2221    1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599   -0.6378    1.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0422    0.3139    0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6834    0.4853   -1.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9817   -2.4405   -0.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2729   -1.9281   -2.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9024   -3.5118    0.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4638   -3.2659   -0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0349   -3.8830   -1.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270   -0.9210    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1543    0.0133    0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9294    1.2316    1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2836    1.7325    0.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309    1.9103   -2.0772 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  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 13 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
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 40 42  2  0
 40 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  1  0
 45 47  1  0
 47 48  2  0
 36  2  1  0
 48 43  1  0
 27 11  1  0
 24 18  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  2 52  1  1
  3 53  1  0
  3 54  1  0
  5 55  1  6
  6 56  1  0
  6 57  1  0
  6 58  1  0
  7 59  1  0
  7 60  1  0
  8 61  1  0
 12 62  1  0
 14 63  1  0
 17 64  1  0
 19 65  1  0
 20 66  1  0
 23 67  1  0
 24 68  1  0
 25 69  1  0
 26 70  1  0
 29 71  1  1
 30 72  1  0
 30 73  1  0
 30 74  1  0
 31 75  1  0
 31 76  1  0
 32 77  1  0
 32 78  1  0
 33 79  1  0
 33 80  1  0
 34 81  1  0
 34 82  1  0
 36 83  1  6
 37 84  1  0
 37 85  1  0
 39 86  1  0
 39 87  1  0
 39 88  1  0
 44 89  1  0
 46 90  1  0
 46 91  1  0
 46 92  1  0
 47 93  1  0
M  END
$$$$
