
     RDKit          3D

 83 86  0  0  0  0  0  0  0  0999 V2000
   11.9850    0.6318    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5335    0.8386   -0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6799    0.5223    0.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2805    0.5960    0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5833    1.0588   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1877    1.1182   -0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4661    0.7194    0.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9578    0.7412    0.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3803   -0.5492    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0833   -1.2538   -0.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365   -0.9809    0.5422 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526   -0.0543    1.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7870    1.1940    0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6735    1.3427   -0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6989    1.4801    0.9611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9864    0.6156    0.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6447    0.9279   -0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1544    0.6754   -0.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8510    1.6064    0.3540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1480    1.0506    0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0802    0.8404   -0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3093   -0.4471   -0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1359   -0.6128   -1.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7100    0.4702   -2.5813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5019    1.7299   -2.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6766    1.9403   -1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0166    2.0282    1.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0013    0.9506    1.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5970   -0.8587    0.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5642   -1.4422    1.9862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1560   -1.5311   -0.2759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7530   -2.8988   -0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9491   -3.1978   -1.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537   -2.9361   -2.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3998   -2.4169   -1.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8085   -2.3927   -3.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5383   -3.0542   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523   -2.4302    0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1616    0.2445    1.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5581    0.1924    1.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374   -0.4116    0.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6477    0.8186   -0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2556    1.3376    0.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2984    0.1764   -1.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3870    1.8980   -0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1094    1.3739   -1.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6678    1.4699   -1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926    0.9197    1.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6097    1.5896    0.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    0.2662    2.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1007   -0.5885    1.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4153    1.1626   -0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0748    2.1066    0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420    2.2517   -0.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126    0.4968   -0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9852    2.5532    1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2281    1.2278    1.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1977    0.3327   -1.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    1.9963   -0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3282   -0.3875   -0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5574    0.8196   -1.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9961    0.1008    1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6482    1.7597    1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8500   -1.3129   -0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3214   -1.6030   -2.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9700    2.5703   -2.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5019    2.9476   -0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6390    2.2967    2.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4682    2.9544    1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710    1.2802    2.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5924    0.0507    2.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6609   -3.5416   -0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1531   -3.1440    0.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7301   -4.2879   -1.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8582   -1.9494   -2.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2274   -1.3722   -1.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -1.6329   -3.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3594   -4.1439   -0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971   -2.9855   -1.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8818   -2.6474    1.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6053   -2.9507    1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6221   -0.0871    2.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0819   -0.1700    2.7583 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
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 19 27  1  0
 27 28  1  0
 16 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  7 39  1  0
 39 40  2  0
 40  4  1  0
 38 11  1  0
 28 16  1  0
 26 21  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  2 45  1  0
  5 46  1  0
  6 47  1  0
  8 48  1  0
  8 49  1  0
 12 50  1  0
 12 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  0
 14 55  1  0
 15 56  1  0
 15 57  1  0
 17 58  1  0
 17 59  1  0
 18 60  1  0
 18 61  1  0
 20 62  1  0
 20 63  1  0
 22 64  1  0
 23 65  1  0
 25 66  1  0
 26 67  1  0
 27 68  1  0
 27 69  1  0
 28 70  1  0
 28 71  1  0
 32 72  1  0
 32 73  1  0
 33 74  1  0
 34 75  1  0
 35 76  1  0
 36 77  1  0
 37 78  1  0
 37 79  1  0
 38 80  1  0
 38 81  1  0
 39 82  1  0
 40 83  1  0
M  END
$$$$
