
     RDKit          3D

 84 89  0  0  0  0  0  0  0  0999 V2000
   -1.5949   -0.4333    3.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186   -0.7270    1.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1028   -0.5621    1.3272 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747   -0.0541   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -0.9209   -0.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5601   -0.9106    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490    0.4120    0.6546 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689    0.5344    1.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275   -0.4097    2.3526 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139    1.7862    1.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2819    1.5106    1.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9606    0.6795    0.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1735   -0.6565    1.0413 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7738   -0.9824   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2275   -2.2374   -0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8386   -2.3383   -1.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9723   -1.1960   -2.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7482   -1.3335   -4.1734 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    0.0564   -2.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9005    0.1165   -0.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871    1.1800   -0.2831 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1706    1.6063    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6246    1.4399    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0885    2.2803   -1.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041    2.4745   -1.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    1.7351   -1.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7320    1.8486   -1.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4371    1.8152   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5585    3.2742    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8654    3.5020    0.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2608    2.3196    1.5937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7378    1.3660    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8683    1.2504   -0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7119    0.9012    0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6856    1.2087    1.8028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1389   -0.3499    0.1608 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5841   -1.3157    1.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819   -2.6321    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963   -3.4014   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8481   -3.3065   -1.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9949   -3.9968   -1.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6977   -4.7855   -0.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2554   -4.8846    0.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1112   -4.1927    0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6782   -0.5170    2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7353   -0.1500   -0.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.5357   -1.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.9658   -0.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3933   -1.2134   -0.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888   -1.6624    0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3829    2.4772    2.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7808    2.2951    0.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3516    1.0046    2.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8178    2.4809    2.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1216   -3.1034    0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2104   -3.2962   -2.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5931    0.9417   -2.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3337    2.1662   -0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800    2.4932    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961    1.8155   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1969    1.8822    0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5498    3.2921   -1.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3933    1.8182   -2.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8010    3.2019   -0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935    0.9994   -2.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0242    2.7562   -2.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1020    0.9984   -2.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7006    3.5123    0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5304    4.0364   -0.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7032    4.2967    1.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6696    3.8712    0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7882    1.6050    0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7517    0.3764    1.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3729    1.8225   -1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8278    0.1853   -0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1365   -0.5854   -0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -1.5582    1.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6006   -3.2672    1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182   -2.4268   -0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3150   -2.7003   -2.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3373   -3.9205   -2.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5804   -5.3247   -1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7977   -5.4979    1.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7811   -4.2739    1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
  7 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 28 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 37  2  1  0
 44 39  1  0
 23  4  1  0
 33 28  1  0
 21 12  1  0
 20 14  1  0
  3 45  1  0
  4 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
  6 50  1  0
 10 51  1  0
 10 52  1  0
 11 53  1  0
 11 54  1  0
 15 55  1  0
 16 56  1  0
 19 57  1  0
 21 58  1  0
 22 59  1  0
 22 60  1  0
 23 61  1  0
 24 62  1  0
 24 63  1  0
 25 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
 32 72  1  0
 32 73  1  0
 33 74  1  0
 33 75  1  0
 36 76  1  0
 37 77  1  0
 38 78  1  0
 38 79  1  0
 40 80  1  0
 41 81  1  0
 42 82  1  0
 43 83  1  0
 44 84  1  0
M  END
$$$$
