
     RDKit          3D

 80 83  0  0  0  0  0  0  0  0999 V2000
   -3.5679    4.0095    1.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7363    3.4098    0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2329    3.2082   -0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8357    2.1482   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7947    1.7398   -1.4553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7049    1.0819   -2.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9299    0.5486   -3.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    1.0631   -1.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1404   -0.3561   -1.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6370   -0.5175   -1.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1262   -1.1169   -2.2903 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034    0.0195   -0.2819 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -0.3052   -0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    0.1221    1.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0640   -0.2439    1.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8332    0.6534    0.2137 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9353   -0.0516   -0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0837   -0.4086    0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0147    0.3058    1.7281 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7548    1.6701    1.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3296    1.8611    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3184   -0.6473    0.1516 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053   -1.9931    0.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1416   -2.3018    1.7730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0658   -3.0312   -0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3485   -4.2240   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560   -5.2379   -1.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0895   -5.0758   -1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8260   -3.9082   -1.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3226   -2.8664   -0.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673   -1.6937   -0.6624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4933   -1.6600   -0.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0559   -0.2658   -0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5369   -0.3688    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5530   -0.5240    1.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2553    0.1082    2.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4253    0.2745    0.8285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1819    0.9921    0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3746    0.7070    1.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1167    4.9820    1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4934    4.2024    1.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9832    3.3184    2.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3755    4.1768   -0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7387    4.1978   -0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4077    2.7476   -1.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7235    2.5943    0.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219    2.4972    0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6054    1.9651   -2.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010    1.7788   -0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3564    1.4133   -2.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3109   -1.0836   -1.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    0.6186    0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4314    0.2078   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0549   -1.4020   -0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0543   -0.3944    1.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4479    1.2186    1.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1689   -1.3131    0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4266   -0.1810    2.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3378    0.6145   -1.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5592   -0.9659   -0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0695   -0.2302    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0234   -1.4933    0.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    2.0940    0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8552    2.2318    2.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450    2.1551    1.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3349    2.7141    0.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1274    0.0695    0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084   -4.3671    0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2912   -6.1527   -1.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4857   -5.8605   -2.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7900   -3.8323   -2.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8825   -2.4154    0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8523   -1.9216   -1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9555    0.4078   -1.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0661   -1.2079   -0.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0530    0.5820   -0.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4442   -0.0296    1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5687   -1.6049    1.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7478   -0.5526    2.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4614    1.0952    2.4768 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  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
  9 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 38  4  1  0
 21 16  1  0
 30 25  1  0
 37 33  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  2 43  1  0
  3 44  1  0
  3 45  1  0
  3 46  1  0
  4 47  1  0
  5 48  1  0
  8 49  1  0
  8 50  1  0
  9 51  1  0
 12 52  1  0
 13 53  1  0
 13 54  1  0
 14 55  1  0
 14 56  1  0
 15 57  1  0
 15 58  1  0
 17 59  1  0
 17 60  1  0
 18 61  1  0
 18 62  1  0
 20 63  1  0
 20 64  1  0
 21 65  1  0
 21 66  1  0
 22 67  1  0
 26 68  1  0
 27 69  1  0
 28 70  1  0
 29 71  1  0
 32 72  1  0
 32 73  1  0
 33 74  1  0
 34 75  1  0
 34 76  1  0
 35 77  1  0
 35 78  1  0
 36 79  1  0
 36 80  1  0
M  END
$$$$
