
     RDKit          3D

108113  0  0  0  0  0  0  0  0999 V2000
    8.2484    3.3352   -1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0295    2.5315   -0.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9495    2.7932   -1.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0894    1.4686    0.2484 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375    0.6146    0.5660 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2761   -0.8723    0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4865   -1.2158   -1.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2257   -0.9898   -1.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720   -0.0152   -2.7515 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.8044   -1.7513 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1509   -3.2252   -1.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7639   -3.8815   -1.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1780   -3.9039    0.4387 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -4.1184   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4818   -3.1666    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758   -1.8353    0.4078 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439   -0.9359   -0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567    0.4132    0.5531 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1053    0.2047    1.9346 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019    0.1381    2.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360   -0.9257    2.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100    1.2704    2.9818 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3647    2.5453    3.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580    3.6980    2.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4994    3.1392    2.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3990    1.6906    2.2586 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5102    0.8346    1.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1011    0.2554    2.9495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6705    1.1567    0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8071    2.1485    1.3066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7166    0.8271   -0.3818 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8671    1.6997   -0.6304 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4020    3.0093   -1.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5570    3.9234   -1.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9753    4.1070   -2.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0826    4.9169   -3.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7772    5.5499   -2.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3538    5.3847   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2481    4.5775   -0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804    0.9631   -1.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6649    0.8046   -2.7097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0890    0.4397   -0.9155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0984   -0.6028    0.1242 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1176    0.0085    1.5515 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1332    1.1453    1.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3124   -0.9812    2.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2670   -1.5379   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4163   -1.0375   -0.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1477   -2.9743   -0.1426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9246   -3.7820   -0.2505 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2258   -3.5815   -1.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6318   -2.6827   -1.5781 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -3.6993   -0.2716 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6521   -3.6376    0.9579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0790   -3.6760    0.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6498   -3.6929    2.1170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5782   -5.1644   -0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176   -5.2969   -2.0866 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4863   -6.0585   -0.1576 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1519   -5.4588   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672   -6.1868   -1.1627 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1768   -6.1473    0.9765 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9998    4.4191   -1.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0301    3.1711   -0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    3.0411   -2.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0003    1.2810    0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640    0.8944   -0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4681   -1.5124    0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2070   -1.1235    0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3163   -0.5971   -1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7953   -2.2773   -1.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1428   -1.3833   -2.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7051   -3.3520   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7266   -3.7512   -2.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350   -3.3721   -1.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515   -4.9356   -1.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6615   -1.3552   -0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3833   -0.7929   -1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3890    1.0715    0.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4216   -0.1628    2.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5152    0.9246    3.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8383    2.5932    4.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243    2.6372    2.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7253    4.0043    3.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961    4.5677    2.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4643    3.4997    2.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4046    3.4299    1.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7328   -0.1243   -0.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334    1.9707    0.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951    3.5531   -0.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203    2.7795   -2.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4680    3.5976   -3.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4184    5.0461   -4.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6338    6.1782   -2.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9012    5.8617   -0.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9522    4.4313    0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    0.5828   -1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1683   -1.1832    0.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1162    0.4380    1.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0709    1.5374    2.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1696    0.7944    1.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8987    1.9721    1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2604   -1.2610    2.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0493   -3.5015   -0.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2498   -4.8432   -0.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0470   -4.5689   -2.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9078   -3.0424   -2.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1627   -3.6440    1.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 18 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 32 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 43 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  2  0
 53 57  1  6
 57 58  1  0
 57 59  1  0
 57 60  1  0
 60 61  1  0
 60 62  1  0
 27  5  1  0
 39 34  1  0
 55 50  1  0
 60 14  1  0
 53 15  1  0
 26 22  1  0
  1 63  1  0
  1 64  1  0
  1 65  1  0
  4 66  1  0
  5 67  1  6
  6 68  1  0
  6 69  1  0
  7 70  1  0
  7 71  1  0
 10 72  1  0
 11 73  1  0
 11 74  1  0
 12 75  1  0
 12 76  1  0
 17 77  1  0
 17 78  1  0
 18 79  1  6
 19 80  1  0
 22 81  1  1
 23 82  1  0
 23 83  1  0
 24 84  1  0
 24 85  1  0
 25 86  1  0
 25 87  1  0
 31 88  1  0
 32 89  1  1
 33 90  1  0
 33 91  1  0
 35 92  1  0
 36 93  1  0
 37 94  1  0
 38 95  1  0
 39 96  1  0
 42 97  1  0
 43 98  1  1
 44 99  1  1
 45100  1  0
 45101  1  0
 45102  1  0
 46103  1  0
 49104  1  0
 50105  1  6
 51106  1  0
 51107  1  0
 54108  1  0
M  END
$$$$
