
     RDKit          3D

 68 72  0  0  0  0  0  0  0  0999 V2000
   10.4358   -1.5729   -0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4520   -2.0113    0.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1241   -1.5790    0.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7560   -0.7570   -0.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2006   -2.0476    1.6863 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -1.7837    1.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1045   -1.5986    2.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327   -1.3364    2.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9979   -1.2919    1.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6920   -1.4926    0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0683   -1.7511    0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890   -1.5181   -0.7940 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0706   -0.4872   -1.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563   -0.5948   -2.8293 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9451    0.7391   -1.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4309    1.7545   -0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9811    2.1346   -0.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890    2.6784    0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2249    2.6967    0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8600    1.2851    0.1412 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2803    1.3425    0.4997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342    1.0850   -0.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0661    0.8951   -1.6571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7329    1.0473    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7568    0.8017   -0.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1666    0.7286   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6236    1.5774    0.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9712    1.5892    1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5244    2.6624    2.3240 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.8833    0.7672    0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4515   -0.0732   -0.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0977   -0.1147   -1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6964   -1.0226   -2.0450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6538   -1.8705   -2.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6741   -2.5930   -3.1962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7467   -2.1771   -3.8574 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3692   -1.2372   -3.1620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1285    0.2749    0.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.2215    0.5986 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5727   -0.8470    1.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6524   -0.7425    2.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7297   -1.4468    4.3139 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028   -0.0223    2.2791 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1413   -1.8635   -1.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5516   -0.4698   -0.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4068   -2.0494    0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6025   -2.5181    2.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6455   -1.6197    3.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2758   -1.1137    3.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5657   -1.9562   -0.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487   -2.2468   -0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0212    1.2482   -2.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9734    0.4249   -1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5687    1.3214    0.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508    2.6750   -0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4540    1.8099   -1.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161    2.9800    1.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6024    3.3339   -0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401    3.1682    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7510    0.9478   -0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    1.6300    1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9150    1.1899    1.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5545    0.6147   -1.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9461    2.2623    1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9298    0.7807    0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1722   -0.7120   -1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9195   -1.9786   -1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2286    0.2717    2.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 20 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 41 43  1  0
 11  6  1  0
 32 26  1  0
 37 33  1  0
 43 38  1  0
 40  9  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  5 47  1  0
  7 48  1  0
  8 49  1  0
 11 50  1  0
 12 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 19 59  1  0
 20 60  1  6
 21 61  1  0
 24 62  1  0
 25 63  1  0
 27 64  1  0
 30 65  1  0
 31 66  1  0
 34 67  1  0
 43 68  1  0
M  END
$$$$
