
     RDKit          3D

 50 52  0  0  0  0  0  0  0  0999 V2000
   -2.0734    3.0432    1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537    2.0747    0.4412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2475    2.5002   -0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0752    1.8312   -1.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    1.7368   -0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1791    0.6341   -1.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791   -0.1839   -0.2777 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7224    0.3464    0.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6592    1.5472    0.9450 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8835   -0.4793    0.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3338   -1.5366    0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4371   -2.3031    0.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1068   -2.0180    1.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6776   -0.9605    2.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5230   -0.5995    4.0412 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5734   -0.1905    2.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   -1.5168   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741   -1.4331    0.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1590   -1.2484   -0.7902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5589   -1.1859   -0.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2095   -2.0618   -1.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5943   -2.0095   -1.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3475   -1.0677   -1.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0872   -0.9988   -1.3953 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7144   -0.1785   -0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3226   -0.2221   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7290    0.7302    0.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6391    0.3743    2.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2419    2.6720    2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7758    4.0333    1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9794    3.1803    2.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989    2.2729   -1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1133    3.6013   -1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4064    0.8368   -2.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0025    1.5373    0.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7429    2.7202   -0.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379    1.1009   -1.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6869   -0.0223   -2.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8426   -1.7616   -0.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7763   -3.1164   -0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9608   -2.6156    2.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491    0.6236    2.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462   -2.0072    0.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2284   -2.1657   -0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -2.3837    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5101   -0.6066    1.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6335   -2.7854   -2.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0794   -2.6969   -2.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3087    0.5493    0.2313 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  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
  7 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
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 25 26  2  0
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 27 28  2  0
 27  2  1  0
 16 10  1  0
 26 20  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  3 32  1  0
  3 33  1  0
  4 34  1  0
  4 35  1  0
  5 36  1  0
  5 37  1  0
  6 38  1  0
  6 39  1  0
 11 40  1  0
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 13 42  1  0
 16 43  1  0
 17 44  1  0
 17 45  1  0
 18 46  1  0
 18 47  1  0
 21 48  1  0
 22 49  1  0
 25 50  1  0
M  END
$$$$
