
     RDKit          3D

 78 82  0  0  0  0  0  0  0  0999 V2000
   -6.2637   -3.1380    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1968   -2.2399   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9474   -2.7741   -1.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9019   -2.3223    0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6275   -1.7147   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4990   -1.5836    1.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5031   -0.5603    0.6286 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -0.7978    1.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503   -1.6774    0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2493   -2.6661    0.8901 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8114   -1.3539   -1.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8477   -1.9379   -1.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8276   -0.8706   -2.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5052    0.0181   -3.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3826    1.0482   -3.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5857    1.2063   -2.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9307    0.3246   -1.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1612    0.4959   -1.1587 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3398    0.1565    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6990    0.7492    0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4200    1.1702   -0.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    1.0227   -1.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5763    1.2718   -2.8822 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0334   -0.7048   -1.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9637    0.8477    0.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5515    1.1746    2.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7024    1.4489    3.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2342    1.7131    4.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6181    1.7165    4.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4361    1.4662    3.5950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9487    1.2006    2.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8506    0.9376    1.3176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2061    1.8708    0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9905    3.2505    0.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3065    4.1583   -0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8348    3.7024   -1.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0546    2.3370   -1.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7635    1.4185   -0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9715    0.0567   -1.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7653   -0.7930   -0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9176   -4.1927    0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2155   -3.1195   -0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4746   -2.7880    1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5399   -3.8076   -1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2270   -2.1356   -2.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8941   -2.7901   -2.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1090   -1.8222    1.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6766   -3.3867    0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713   -2.3592   -0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8512   -0.7330   -0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0127   -2.5821    1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8974   -1.3674    2.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6922   -1.2468    2.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3846    0.1442    1.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179   -0.5974   -1.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3714   -2.3666   -2.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3689   -2.7722   -1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5688   -0.0807   -3.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1242    1.7367   -4.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2265    2.0387   -3.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3606   -0.9482    0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5170    0.5865    0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3008    0.0030    1.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5370    1.6395    1.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7700    2.2230   -0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2704    0.4894   -0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2720   -1.3818   -0.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820    1.0852   -0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1270    1.5501    0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721    1.4602    3.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797    1.9249    5.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0438    1.9211    5.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5757    3.6232    1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1381    5.2170   -0.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0715    4.4068   -2.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4643    1.9911   -2.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7863   -0.8082   -0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8701   -0.3824    0.7150 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  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 17 24  2  0
  7 25  1  0
 25 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  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 40  2  1  0
 24 13  1  0
 31 26  1  0
 38 33  1  0
 22 18  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  3 44  1  0
  3 45  1  0
  3 46  1  0
  4 47  1  0
  4 48  1  0
  5 49  1  0
  5 50  1  0
  6 51  1  0
  6 52  1  0
  8 53  1  0
  8 54  1  0
 11 55  1  0
 12 56  1  0
 12 57  1  0
 14 58  1  0
 15 59  1  0
 16 60  1  0
 19 61  1  0
 19 62  1  0
 20 63  1  0
 20 64  1  0
 21 65  1  0
 21 66  1  0
 24 67  1  0
 25 68  1  0
 25 69  1  0
 27 70  1  0
 28 71  1  0
 29 72  1  0
 34 73  1  0
 35 74  1  0
 36 75  1  0
 37 76  1  0
 40 77  1  0
 40 78  1  0
M  END
$$$$
