
     RDKit          3D

 84 88  0  0  0  0  0  0  0  0999 V2000
   -3.8290    0.0805   -3.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6067    0.4807   -2.3166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3320    0.1941   -1.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1295   -1.3129   -1.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402   -1.5498   -0.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2280   -2.8097    0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1447   -3.9675   -0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0031   -5.2226    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9504   -5.3408    1.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0327   -4.2080    2.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1752   -2.9260    1.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2696   -1.7478    2.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7405   -1.8096    3.7560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062   -0.5706    2.2364 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7519    0.7462    2.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6601    1.4611    2.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5547    1.3134    0.8515 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2591    2.3131    2.7965 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    2.8755    2.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138    1.7716    1.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9754    0.9030    2.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492   -0.2200    2.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6605   -0.4951    0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2954   -1.7560    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4778   -1.4402   -0.7304 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6462   -1.1111    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8506   -0.7387   -0.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6578   -1.1018   -2.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2149   -2.4417   -2.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7994   -2.5766   -1.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0386    0.3965   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764    1.5269    0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0436    1.5969    2.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8628    1.8851    1.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345    2.8730    0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3879    3.7040    1.1844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6545    2.9496   -0.6266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0547    3.8946   -1.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9185    3.8601   -2.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2359    3.2204   -2.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8939    2.3783   -1.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7230    0.9238   -1.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6073    0.0947   -1.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5993   -0.7184   -3.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8956   -0.3140   -4.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1748    0.9505   -4.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4961    0.6319   -2.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3286    0.6698   -0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -1.7329   -2.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184   -1.8091   -1.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.8996   -1.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412   -6.1082   -0.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8469   -6.3185    1.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9926   -4.3365    3.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6840   -0.6505    1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3853    0.5915    3.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1006    2.5164    3.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286    3.4596    2.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1364    3.5782    1.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401    1.0820    3.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -0.8872    2.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5630   -2.4478    0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282   -2.2887   -0.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9183   -1.9785    0.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4126   -0.2537    0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7786   -1.2088   -0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0011    0.3621   -0.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2014   -2.7548   -3.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9227   -3.1229   -1.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.5431   -1.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0598   -2.5929   -2.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0402    0.2007   -1.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686    2.1830   -0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7930    2.5603    3.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7193    1.0564    3.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1044    0.9426    1.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8386    2.3201    2.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097    3.5972   -1.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731    4.9162   -1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4312    3.2305   -3.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0748    4.8797   -3.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9506    4.0248   -2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6997    2.6309   -3.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7071    2.4855   -0.3967 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  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 23 31  1  0
 31 32  2  0
 15 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 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  2  0
 42  2  1  0
 11  6  1  0
 32 20  1  0
 41 37  1  0
 30 25  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  7 51  1  0
  8 52  1  0
  9 53  1  0
 10 54  1  0
 14 55  1  0
 15 56  1  0
 18 57  1  0
 19 58  1  0
 19 59  1  0
 21 60  1  0
 22 61  1  0
 24 62  1  0
 24 63  1  0
 26 64  1  0
 26 65  1  0
 27 66  1  0
 27 67  1  0
 29 68  1  0
 29 69  1  0
 30 70  1  0
 30 71  1  0
 31 72  1  0
 32 73  1  0
 33 74  1  0
 33 75  1  0
 34 76  1  0
 34 77  1  0
 38 78  1  0
 38 79  1  0
 39 80  1  0
 39 81  1  0
 40 82  1  0
 40 83  1  0
 41 84  1  0
M  END
$$$$
