
     RDKit          3D

 85 89  0  0  0  0  0  0  0  0999 V2000
   -4.1676   -4.6228   -0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4639   -3.9521    0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9665   -4.7278    1.7207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9674   -2.4815    0.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003   -2.3895    0.7474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8198   -1.1550    1.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3292   -0.2987    1.7878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5439   -0.8438    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643   -0.3901   -1.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3744   -0.3224   -2.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315    0.7158   -2.7003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   -1.4809   -2.1659 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5110   -1.4362   -2.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5008   -0.6799   -1.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9473    0.5917   -2.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659    1.2867   -1.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3396    0.7286   -0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3581    1.4583    0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6342    0.7120    0.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5131    1.2618    1.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8576    0.5249    1.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4880    0.6530    0.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6752    0.0685   -0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3224    0.7834   -0.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8766   -0.5336    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9642   -1.2348   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6142    0.8808   -1.1414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1175    2.0631   -0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793    2.4123   -0.7076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9402    2.8812    0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763    3.9233    1.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9435    4.7283    2.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2854    4.5074    2.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9706    3.4899    1.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3270    2.6681    0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0585    1.6715    0.0467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4816    1.5429    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0177    0.4107   -0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5446    0.4741   -0.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0670   -0.4601    0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9531   -1.4721    0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7606   -0.8812   -0.1306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5431   -1.6125   -0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9315   -1.5029   -1.4235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875   -4.5820   -0.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7498   -4.1332   -1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4628   -5.6955   -0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5669   -3.9372    0.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9900   -4.8424    1.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3245   -2.0888    1.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292   -3.1703    0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814   -1.7607    0.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239   -0.0556    0.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003   -1.1649   -1.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8813   -2.4026   -1.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8829   -2.4758   -2.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4048   -0.9848   -3.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    1.0380   -3.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2096    2.2587   -1.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5184    2.4956    0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9357    1.5453    1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6905    2.3503    1.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    1.1238    2.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5127    0.9819    2.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7200   -0.5450    1.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5332   -1.0190   -0.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1925    0.1691   -1.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7113    0.2823   -1.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    1.8413   -1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313   -0.9797    0.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6155   -2.2076   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5526    0.9015   -1.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270    4.1229    0.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4140    5.5144    2.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7978    5.1232    3.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0143    3.3636    1.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7682    1.3317    1.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9390    2.5062   -0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5651    0.4715   -1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8498    0.0794   -1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9594    1.5015   -0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0142   -0.9503   -0.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2513    0.1170    1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1991   -2.4224   -0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8018   -1.6621    1.5416 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  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 17 25  1  0
 25 26  2  0
  9 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  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
 43 44  2  0
 43  4  1  0
 26 14  1  0
 35 30  1  0
 42 38  1  0
 24 19  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  2 48  1  0
  3 49  1  0
  4 50  1  0
  5 51  1  0
  8 52  1  0
  8 53  1  0
  9 54  1  0
 12 55  1  0
 13 56  1  0
 13 57  1  0
 15 58  1  0
 16 59  1  0
 18 60  1  0
 18 61  1  0
 20 62  1  0
 20 63  1  0
 21 64  1  0
 21 65  1  0
 23 66  1  0
 23 67  1  0
 24 68  1  0
 24 69  1  0
 25 70  1  0
 26 71  1  0
 27 72  1  0
 31 73  1  0
 32 74  1  0
 33 75  1  0
 34 76  1  0
 37 77  1  0
 37 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
 41 85  1  0
M  END
$$$$
