
     RDKit          3D

 84 86  0  0  0  0  0  0  0  0999 V2000
   -3.9063    2.7259    0.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7777    1.4992    0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1890    1.9620    0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1907    0.6105   -0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8658   -0.1317   -0.2669 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9405   -0.8481    1.0164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1473   -2.2645    1.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1467   -2.7493    2.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -3.1810   -0.0265 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9265   -4.5582    0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1532   -3.2999   -0.8623 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9501   -3.7865   -0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910   -2.6665   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5927   -2.2222   -1.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508   -2.6315   -1.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9525   -1.8625   -0.8743 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316   -0.4774   -1.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334   -0.0480   -2.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704    0.4663   -0.0076 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0918    0.5530    0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7358   -0.7588    0.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9128   -1.0962    1.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5086   -2.3147    2.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497   -3.1925    1.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7865   -2.8615   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1809   -1.6515   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377    0.0954    1.2130 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5078    0.5381    1.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556    0.2750    2.6896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.3505    0.5862 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8606    2.8500    0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0964    3.7297   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4566    3.7764   -1.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686    4.5697   -2.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382    5.3457   -1.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0426    6.1386   -2.7909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858    5.3261   -0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779    4.5181    0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7578    0.9804    0.7469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390    0.7531   -0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3844    1.2905   -1.4834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7285    3.3052   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9397    2.4301    1.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4031    3.3926    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8747    0.9042    1.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8464    1.0870   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6365    2.5574    0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1566    2.5903   -0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9462   -0.1725   -0.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0671    1.2188   -1.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7334   -0.8642   -1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9514   -0.2846    1.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1527   -2.7076   -0.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2440   -5.1057    1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0884   -5.1814   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9016   -4.4275    0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3602   -3.9209   -1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182   -4.6561   -0.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1668   -4.1334    0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3637   -1.7982    0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9326   -3.0134    0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5035   -1.1176   -1.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0359   -2.6488   -2.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1757   -3.7200   -1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3082   -2.4610   -2.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507   -2.2873    0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2651    1.4904   -0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835    0.9401   -0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2827    1.3104    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5906   -0.4181    2.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6254   -2.5753    3.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4161   -4.1316    1.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -3.5420   -0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638   -1.4064   -1.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2509   -0.6194    1.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9673    1.1237   -0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9381    3.1033    0.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5618    3.0726    1.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    3.1893   -1.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    4.5794   -3.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7926    6.7583   -2.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106    5.9295   -0.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2667    4.5103    1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    0.9486    1.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  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  2  0
 17 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
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 30 39  1  0
 39 40  1  0
 40 41  2  0
 40  5  1  0
 26 21  1  0
 38 32  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  3 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  6
  6 52  1  0
  9 53  1  6
 10 54  1  0
 10 55  1  0
 10 56  1  0
 11 57  1  0
 12 58  1  0
 12 59  1  0
 13 60  1  0
 13 61  1  0
 14 62  1  0
 14 63  1  0
 15 64  1  0
 15 65  1  0
 16 66  1  0
 19 67  1  6
 20 68  1  0
 20 69  1  0
 22 70  1  0
 23 71  1  0
 24 72  1  0
 25 73  1  0
 26 74  1  0
 27 75  1  0
 30 76  1  6
 31 77  1  0
 31 78  1  0
 33 79  1  0
 34 80  1  0
 36 81  1  0
 37 82  1  0
 38 83  1  0
 39 84  1  0
M  END
$$$$
