
     RDKit          3D

 76 79  0  0  0  0  0  0  0  0999 V2000
   -5.5740    0.6349    0.5671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6883    0.2388   -0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1261   -0.3491   -1.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5496    0.0196   -1.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5912   -0.8651   -1.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9188   -0.5466   -1.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2225    0.6605   -2.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1999    1.5569   -2.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8638    1.2504   -2.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6207    2.4380   -2.9205 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2895    0.3221    0.1280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2355   -0.3358   -0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3674    0.6797   -1.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    0.3922   -1.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6343    0.7570    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0718    0.3305    0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4589   -1.1090    0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -1.4246    0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8242   -0.4782   -0.2444 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2367   -0.8312    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1398   -0.2098   -1.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1031    0.7433   -0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9220    1.3068   -1.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7815    0.9320   -2.9289 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577    0.0099   -3.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0180   -0.5769   -2.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5492    0.9092    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0932    1.2991   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1280    0.4484    2.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6181    1.4838    2.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6677   -0.5543    2.9585 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791   -1.1829    2.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7402   -0.2054    3.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6982   -0.0302    4.7690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1476   -0.7381    2.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836   -1.5429    3.9753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    0.3958    2.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172    1.1342    1.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0311   -1.4541   -1.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4538   -0.0060   -2.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3781   -1.8001   -1.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7130   -1.2350   -1.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2540    0.9095   -2.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4503    2.4987   -3.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6646   -1.0704   -1.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6148   -0.9751   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5845    1.7227   -1.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323    0.6094   -2.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068   -0.6840   -1.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7110    0.9952   -2.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5233    1.8559    0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0727    0.3080    0.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760   -1.2065   -1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8044   -1.8797    0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1288   -2.4643    0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0777   -1.3953    1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798   -1.9300   -0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.5361    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2181    1.0466    0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6705    2.0371   -1.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7740   -0.2662   -4.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2793   -1.3094   -2.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2062    1.6128   -0.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614    1.0417    1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9182    2.3452    0.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9627    1.2902   -1.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683   -1.6088    1.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985   -2.0488    3.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5613    0.7858    2.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1805    0.3760    4.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837   -1.3648    2.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1533   -2.3816    4.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1155    1.1353    3.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1823   -0.0222    2.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764    1.4962    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5270    2.0646    1.3130 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  2 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  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 19 27  1  0
 27 28  1  0
 16 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  9  4  1  0
 38 11  1  0
 28 16  1  0
 26 21  1  0
  3 39  1  0
  3 40  1  0
  5 41  1  0
  6 42  1  0
  7 43  1  0
  8 44  1  0
 12 45  1  0
 12 46  1  0
 13 47  1  0
 13 48  1  0
 14 49  1  0
 14 50  1  0
 15 51  1  0
 15 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 20 57  1  0
 20 58  1  0
 22 59  1  0
 23 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 27 64  1  0
 28 65  1  0
 28 66  1  0
 32 67  1  0
 32 68  1  0
 33 69  1  0
 34 70  1  0
 35 71  1  0
 36 72  1  0
 37 73  1  0
 37 74  1  0
 38 75  1  0
 38 76  1  0
M  END
$$$$
