
     RDKit          3D

 84 87  0  0  0  0  0  0  0  0999 V2000
    9.8003   -0.4341    1.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3955   -0.7001    0.6643 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0267    0.0070   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4980    0.0535   -0.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7682   -1.0074    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2493   -1.0823   -0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5196    0.2472   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7982    1.0835    0.6543 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4803    0.5686   -1.2059 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1010    1.9815   -1.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    2.4241   -0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3860    2.1060   -0.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4268    2.4477    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8127    1.7459    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8672    2.5258    0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3082    1.9891    0.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3847    0.9643   -0.3197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7729    0.5113   -0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1805   -0.4264    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5438   -1.6687    0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9089   -2.5181    1.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8716   -2.1390    2.6377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5007   -0.9382    2.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1676   -0.0587    1.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7938    1.4781   -1.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2881    1.7822   -1.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7074    0.2968    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2618   -0.0609    1.6534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9815   -0.6408   -0.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2752   -2.0377   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0638   -2.8932   -0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5289   -4.1112   -1.1263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1506   -2.2114   -1.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9110   -1.4304   -2.5499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9433   -1.3635   -0.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7422   -0.4743   -1.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0864   -0.8442    1.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5088   -0.3065    1.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4606   -0.7162    0.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9601    0.6395    1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1019   -1.0516    1.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4965   -0.5245   -1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4168    1.0505   -0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797   -0.1057   -1.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1294    1.0665   -0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1870   -1.9944   -0.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397   -1.5592   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730   -1.7579    0.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    2.6221   -1.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7356    2.1596   -2.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282    3.5226   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2494    1.9368    0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6087    2.6941   -1.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4568    1.0441   -1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240    2.1903    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553    3.5532    0.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5934    2.5096    2.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8610    3.5961    0.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9922    2.8399    0.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6372    1.5417    1.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4703    1.3770   -0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8583   -0.0533   -1.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7694   -1.9716    0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4236   -3.4784    1.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2598   -0.6651    3.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6682    0.8980    1.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8978    0.7213   -2.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3312    2.3962   -1.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0948    2.7925   -1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7002    1.0639   -2.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5773   -2.3659    0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1352   -2.2138   -0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451   -3.1117    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8577   -4.6493   -0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3826   -3.0013   -2.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4415   -2.0617   -3.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5029   -0.7369   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6435   -2.0587   -0.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518    0.0029   -2.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4344   -1.0876   -2.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9855   -1.8382    2.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3669   -0.1671    2.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4791    0.8044    1.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8818   -0.7180    2.7401 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  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 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  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 17 25  1  0
 25 26  1  0
 14 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
  5 37  1  0
 37 38  1  0
 38  2  1  0
 36  9  1  0
 26 14  1  0
 24 19  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  3 43  1  0
  4 44  1  0
  4 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
 10 49  1  0
 10 50  1  0
 11 51  1  0
 11 52  1  0
 12 53  1  0
 12 54  1  0
 13 55  1  0
 13 56  1  0
 15 57  1  0
 15 58  1  0
 16 59  1  0
 16 60  1  0
 18 61  1  0
 18 62  1  0
 20 63  1  0
 21 64  1  0
 23 65  1  0
 24 66  1  0
 25 67  1  0
 25 68  1  0
 26 69  1  0
 26 70  1  0
 30 71  1  0
 30 72  1  0
 31 73  1  0
 32 74  1  0
 33 75  1  0
 34 76  1  0
 35 77  1  0
 35 78  1  0
 36 79  1  0
 36 80  1  0
 37 81  1  0
 37 82  1  0
 38 83  1  0
 38 84  1  0
M  END
$$$$
