
     RDKit          3D

 57 60  0  0  0  0  0  0  0  0999 V2000
    8.7828    3.3774   -1.6341 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4757    2.2350   -1.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    1.9031   -2.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5793    0.9937   -2.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875    0.4013   -0.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432   -0.5501   -0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909    0.2077   -0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.7381   -0.1071 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921   -0.4355    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241    0.9336    0.5716 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9919    1.3680    1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2017    1.0694    2.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679   -0.0040    2.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7320    0.4777    2.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2673    0.7208    1.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8515   -0.3172    0.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0638   -0.2664   -0.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3275    0.0646   -1.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245    0.1486   -2.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4620   -0.0872   -3.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2005   -0.4137   -3.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931   -0.5216   -1.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6988   -0.8047   -1.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4178   -1.7026   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614   -2.7460   -0.0615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0094   -3.6698    0.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502   -3.5773    1.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0332   -2.5205    1.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508   -1.5551    0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2392    0.7495    0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2818    1.6591   -0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7648    2.3512   -3.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9206    0.7525   -3.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0296   -1.1140   -1.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5172   -1.2942    0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2009    0.7532    0.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    0.9329   -1.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080    1.6988    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7712    0.9377    0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0697    2.4682    0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    0.7370    2.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4772    2.0078    3.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307   -0.8985    2.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0952   -0.3453    3.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8568    1.4021    3.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3669   -0.3051    3.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8996    1.7022    0.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3764    0.7645    1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1613    0.2505   -0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5010    0.4013   -3.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6150   -0.0136   -4.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3797   -0.5860   -3.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7055   -4.4817    1.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6406   -4.3151    2.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -2.4423    2.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0944    0.3182    1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9354    1.9178    0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  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  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
  5 30  1  0
 30 31  2  0
 31  2  1  0
 29  9  1  0
 22 17  1  0
 29 24  1  0
  3 32  1  0
  4 33  1  0
  6 34  1  0
  6 35  1  0
  7 36  1  0
  7 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 15 47  1  0
 15 48  1  0
 18 49  1  0
 19 50  1  0
 20 51  1  0
 21 52  1  0
 26 53  1  0
 27 54  1  0
 28 55  1  0
 30 56  1  0
 31 57  1  0
M  END
$$$$
