
     RDKit          3D

 80 82  0  0  0  0  0  0  0  0999 V2000
    8.2090    0.8537    0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845   -0.1573    0.6933 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8101   -1.3064    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1172    0.4295   -0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -0.3808   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6475   -1.0571    1.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8485   -0.3778   -1.0896 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8022    0.6861   -2.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085    1.3275   -2.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116    2.0834   -0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    2.1309   -0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    2.5026    0.5744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794    2.7175    1.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0859    3.0567    2.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2743    3.3834    3.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4814    3.3694    2.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9712    3.8136    3.2807 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5039    3.0155    1.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3229    2.6480    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4487    2.2701   -0.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5535    3.1959   -1.8268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095    0.8856   -1.3991 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461    0.5801   -2.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1391   -0.1267   -0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6779   -0.0034   -0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3443   -0.7999    0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4428   -0.2703    1.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0258   -1.0207    2.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5084   -2.3064    2.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4072   -2.8447    1.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8262   -2.0962    0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7130   -1.5468   -0.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1732   -2.1029   -1.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8604   -2.3016    0.0243 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1753   -3.7125    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -1.7540    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -1.9789   -0.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8656   -1.4946   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9378   -1.5324   -1.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6376    1.2870    0.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0287    0.4047    1.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7655    1.6701    1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3884   -0.9834   -0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0397   -2.0401   -0.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4921   -1.8348    0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4520    0.4960   -1.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8690    1.4573    0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0796    0.2524   -3.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5251    1.4996   -1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    2.0456   -3.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6626    0.5484   -2.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4074    3.1190   -0.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4689    1.6152   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0636    1.1269   -0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0786    2.8736   -1.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    3.1007    3.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2494    3.6602    4.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4499    3.0285    0.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755   -0.3002   -2.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7255    1.4199   -3.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2044    0.3810   -3.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8328    0.0735    0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0497   -0.3292   -1.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9794    1.0586   -0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0680    0.7223    2.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1035   -0.6050    3.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9579   -2.8862    3.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7774   -3.8431    1.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7479   -2.5273   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136   -4.1941    0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1634   -3.7926    0.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046   -4.2629   -0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6736   -0.6688    0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2743   -2.2453    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -3.0604   -0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2094   -1.4196   -1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7511   -0.4672    0.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1945   -2.1259    0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708   -1.5573   -2.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211   -2.4753   -1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 24 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39  7  1  0
 19 13  1  0
 31 26  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  3 45  1  0
  4 46  1  0
  4 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
  9 51  1  0
 10 52  1  0
 10 53  1  0
 11 54  1  0
 11 55  1  0
 14 56  1  0
 15 57  1  0
 18 58  1  0
 23 59  1  0
 23 60  1  0
 23 61  1  0
 24 62  1  0
 25 63  1  0
 25 64  1  0
 27 65  1  0
 28 66  1  0
 29 67  1  0
 30 68  1  0
 31 69  1  0
 35 70  1  0
 35 71  1  0
 35 72  1  0
 36 73  1  0
 36 74  1  0
 37 75  1  0
 37 76  1  0
 38 77  1  0
 38 78  1  0
 39 79  1  0
 39 80  1  0
M  END
$$$$
