BPGY79
  -OEChem-04022103503D

 54 57  0     0  0  0  0  0  0999 V2000
   -6.2854   -0.3159    1.2359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121    0.7847   -0.7417 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7315    0.0218   -0.4534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429   -1.1043   -0.1911 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091   -2.2529    0.5111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873   -3.5388    0.7695 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1715    1.3010    0.3457 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5019    1.1229    0.4140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1146   -0.0768   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3036    0.1255   -0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -1.2462   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5955    0.7610   -0.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840    0.0389   -0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    2.1515   -1.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9544   -1.1152    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432   -2.3384    0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9702    1.2209   -0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2321   -1.0433   -1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7383    3.1112   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3401   -1.0381    0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    0.1288   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3164    0.3054    0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3550    1.2568   -0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6934    1.4386    1.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2938   -0.5282   -2.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766    0.1615    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4032    1.6797    2.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4179   -0.8309   -0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463   -0.1813    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6286    1.7864   -0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6920    0.8359   -2.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070    2.1886   -1.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8928    2.4516   -1.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    2.1222   -0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3997   -1.4921   -1.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6697   -1.8274   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    3.1818    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233    4.1134   -0.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0831    2.8089    0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8809   -1.9152    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8739    2.1702   -0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6410    1.2086    1.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7610    2.3652    1.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8957    0.2518   -2.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6710   -1.3416   -2.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1394   -0.1002   -1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933   -3.6163    0.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1321   -4.3219    1.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4570    1.9321    2.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9313    2.5063    3.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3623    0.7889    3.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2528   -1.8748   -0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8109    2.2324    0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6407   -0.6040    0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  2  0  0  0  0
  6 16  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 53  1  0  0  0  0
  8 29  2  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 20  1  0  0  0  0
 17 23  2  0  0  0  0
 17 34  1  0  0  0  0
 18 25  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 27  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  2  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$