
     RDKit          3D

 74 77  0  0  0  0  0  0  0  0999 V2000
   -4.3905   -3.7579    1.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2077   -2.8133    1.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3455   -3.4449    2.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3578   -2.5442    0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3143   -1.5034    0.6935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0056   -0.6443    1.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910   -0.3083    2.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3887   -0.1097    1.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8003    0.8618    0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1499    1.4476    1.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2543    2.4082    1.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3316    0.8727    0.6090 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0743   -0.1344    1.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701   -1.4813    0.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958   -1.5048   -0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2053   -2.3637   -0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1901   -2.3801   -1.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0872   -1.5340   -2.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9920   -0.6759   -2.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9853   -0.6518   -1.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8262    0.3072   -1.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8487    1.3900   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1850    1.9365    0.7012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734    2.7124   -0.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5723    2.5471   -1.4263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3191    3.7433   -0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9665    5.0005   -1.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9113    6.0277   -1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2147    5.8127   -0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5844    4.5606   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6561    3.5130   -0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0981    2.2560    0.1713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1301    1.1258   -0.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0040    0.0424   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0194   -1.1651   -0.9106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8924   -1.1773   -2.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1896   -2.3311   -0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1840   -3.2627   -1.5167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9350   -3.9923    2.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0351   -4.7070    1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1168   -3.2779    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6539   -1.8824    2.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9429   -3.5598    3.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4656   -2.8184    3.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9790   -4.4470    2.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029   -3.4962    0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6393   -1.4867   -0.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    0.4045    2.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0918   -0.9713    2.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8715    0.2904   -0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6093   -0.2776    2.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1149    0.2159    1.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598   -1.6936    0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846   -2.2805    1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3134   -3.0199    0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0391   -3.0436   -1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8569   -1.5415   -3.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9344   -0.0239   -3.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.8064   -2.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652   -0.2493   -1.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8832    1.7756   -0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    2.2468   -1.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7907    2.2002    1.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0464    5.1951   -1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    6.9970   -1.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9417    6.6129   -0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6058    4.3937    0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5574    1.4249   -1.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1056    0.7325   -0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0400    0.4306    0.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6530   -0.1734    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4733   -0.2352   -2.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6104   -2.0216   -2.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2812   -1.3049   -3.0125 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  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
  9 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 37  4  1  0
 22 12  1  0
 31 26  1  0
 20 15  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  3 45  1  0
  4 46  1  0
  5 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 16 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 21 59  1  0
 21 60  1  0
 22 61  1  0
 22 62  1  0
 23 63  1  0
 27 64  1  0
 28 65  1  0
 29 66  1  0
 30 67  1  0
 33 68  1  0
 33 69  1  0
 34 70  1  0
 34 71  1  0
 36 72  1  0
 36 73  1  0
 36 74  1  0
M  END
$$$$
