
     RDKit          3D

 94 98  0  0  0  0  0  0  0  0999 V2000
   -2.9899    3.9703   -1.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4408    2.7814   -1.2723 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2934    2.0228   -0.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1351    2.5415    1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9964    3.6531    1.3557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3921    3.6347    1.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9718    4.6898    0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3323    4.6764    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1316    3.6128    0.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5840    2.5820    1.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2196    2.5918    1.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7362    1.5800    2.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0867    1.9524    3.6636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0419    0.1885    2.4801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9655   -0.4731    1.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6323   -1.2196    1.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4149   -1.7878   -0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0494   -2.1853   -0.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5921   -3.4836   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3535   -4.4017   -1.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8774   -5.6991   -1.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -6.0926   -1.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8752   -5.1859   -0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3243   -3.8719   -0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4822   -2.9240    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0689   -3.2536    1.6442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -1.6329   -0.0236 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0054   -1.3572   -1.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4644   -1.3975   -1.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0791   -0.3401   -2.1525 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1525   -2.6561   -1.8719 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4959   -2.8074   -2.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5431   -2.1968   -1.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5053   -2.3919   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5359   -1.9027    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6306   -1.2351    0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7501   -0.7234    0.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4283    0.6078    1.5191 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3323    0.9247    2.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9830    2.3067    3.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0508    3.0176    2.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5081    3.0694    1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5306    1.6609    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6662   -1.0346   -1.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6320   -1.5147   -2.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7158   -0.0478   -1.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    1.1644   -0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0641    2.4117   -1.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3716    3.1096   -2.3195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0556    4.1297   -1.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243    3.8517   -3.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4154    4.8707   -1.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451    0.9464   -0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3547    2.0729   -0.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0843    2.8581    1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252    1.7255    1.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3527    5.5028    0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7628    5.4828   -0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1848    3.5988    0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2366    1.7971    1.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0379   -0.4192    3.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0600    0.2687    0.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8041   -1.1953    1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7972   -0.5304    1.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6105   -2.0544    1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1184   -2.6331   -0.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6224   -1.0109   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3011   -4.1178   -1.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4648   -6.3998   -2.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2835   -7.1003   -1.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0825   -5.5004   -0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3044   -0.9610    0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4858   -2.1620   -2.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462   -3.5170   -1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276   -3.8865   -2.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5229   -2.3493   -3.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825   -2.9262    0.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927   -2.0585    1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7082   -0.7010    0.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8981   -1.4586    1.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2287    0.1576    3.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    0.9264    2.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5305    2.1626    4.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9067    2.9126    3.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5184    3.5408    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8229    3.7239    0.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4650    1.5518   -0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6618    1.5736   -0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4998   -0.5170   -1.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6866   -1.3592   -3.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073   -0.2422   -1.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    0.2032   -2.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8078    0.9837    0.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6607    1.3250   -0.8714 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
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 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  2  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
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 36 44  1  0
 44 45  2  0
 28 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  0
 48  2  1  0
 11  6  1  0
 24 19  1  0
 45 33  1  0
 43 38  1  0
  1 50  1  0
  1 51  1  0
  1 52  1  0
  3 53  1  0
  3 54  1  0
  4 55  1  0
  4 56  1  0
  7 57  1  0
  8 58  1  0
  9 59  1  0
 10 60  1  0
 14 61  1  0
 15 62  1  0
 15 63  1  0
 16 64  1  0
 16 65  1  0
 17 66  1  0
 17 67  1  0
 20 68  1  0
 21 69  1  0
 22 70  1  0
 23 71  1  0
 27 72  1  0
 28 73  1  0
 31 74  1  0
 32 75  1  0
 32 76  1  0
 34 77  1  0
 35 78  1  0
 37 79  1  0
 37 80  1  0
 39 81  1  0
 39 82  1  0
 40 83  1  0
 40 84  1  0
 42 85  1  0
 42 86  1  0
 43 87  1  0
 43 88  1  0
 44 89  1  0
 45 90  1  0
 46 91  1  0
 46 92  1  0
 47 93  1  0
 47 94  1  0
M  END
$$$$
