BH7JT9
  -OEChem-04022115463D

 73 77  0     1  0  0  0  0  0999 V2000
    2.2599   -3.3917    0.6052 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2225   -1.1658    1.5118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0295   -0.4319   -1.2795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948   -1.4488   -0.7740 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931   -0.3208    0.6824 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -1.0357   -0.3995 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3421   -0.6696    0.2044 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6842   -2.5169    1.3628 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2850   -0.2270    0.8120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1786    1.5161    0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5857    0.1908    0.1085 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8250    1.9896    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607    2.5812    0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4211    3.3401    0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8527    3.9309    1.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029    4.3938    0.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -2.5817   -0.7084 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5435   -0.8693    0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449   -1.1283   -2.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0609   -3.1393   -2.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3613   -1.9204   -3.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3268   -2.2138   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9390   -0.5972   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0837   -1.1178    0.7953 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1505   -1.0466    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5162   -2.2495    0.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0449   -2.6394    0.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0923   -0.0179    0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6132    0.7163    0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5045   -1.4485    1.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365    1.2729   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8319   -1.6400    1.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5679    1.3876   -1.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8564    2.4118    0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193    2.6412   -2.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    3.6653   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3393    3.7801   -1.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0706    1.3744    1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646    0.3695   -0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0331    1.2682    0.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8711    2.0736   -0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4546    2.6997   -0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2064    2.2754    0.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2274    3.2287    1.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5137    3.6767    0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183    4.6798    0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8023    3.8536    2.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5928    4.6096   -0.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    5.3289    1.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4947   -3.3188   -0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592   -0.0552   -2.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -1.4562   -2.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8781   -3.8633   -2.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709   -3.6364   -2.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668   -2.1820   -3.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5561   -1.3394   -3.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7977   -0.5218    1.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9869   -0.7391    1.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0964   -2.9841    1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1324   -3.0871   -0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8558   -3.0309    1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1086   -1.2450    0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8368    1.3929    0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7133    0.8472    1.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5573    1.0263    0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1805   -2.6701    1.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7497   -1.4228    3.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5832   -0.9740    1.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5533    0.5136   -2.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0601    2.3416    1.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1109    2.7307   -3.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    4.5520    0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    4.7561   -1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 26  1  0  0  0  0
  2 18  2  0  0  0  0
  3 23  2  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  5 57  1  0  0  0  0
  6 22  2  0  0  0  0
  6 25  1  0  0  0  0
  7 24  1  0  0  0  0
  7 29  1  0  0  0  0
  7 62  1  0  0  0  0
  8 26  2  0  0  0  0
  8 30  1  0  0  0  0
  9 28  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 38  1  0  0  0  0
 11 18  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 16  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  1  0  0  0  0
 17 50  1  0  0  0  0
 19 21  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 23 24  1  0  0  0  0
 24 27  1  0  0  0  0
 24 58  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 31  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 33 35  1  0  0  0  0
 33 69  1  0  0  0  0
 34 36  2  0  0  0  0
 34 70  1  0  0  0  0
 35 37  2  0  0  0  0
 35 71  1  0  0  0  0
 36 37  1  0  0  0  0
 36 72  1  0  0  0  0
 37 73  1  0  0  0  0
M  END

$$$$