BB3CH0
  -OEChem-04022104023D

 64 67  0     1  0  0  0  0  0999 V2000
   -2.3376    0.9456    1.5210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3998   -1.8687   -1.3255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1593   -2.4722   -1.5863 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7908    3.1183   -1.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1891    1.2318   -1.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234   -0.3889    2.4334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8169    2.5768    1.2893 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3279    0.8193   -0.1976 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870   -1.9164    0.6642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5568   -1.1722    0.6878 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7772   -0.6918   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2572    0.0598    1.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370   -1.4745   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1908    0.5182    0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8927   -2.3837    1.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9795   -1.3194    0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5145   -1.2733   -1.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746    0.3834    2.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3215    1.1868    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1070   -0.4599    1.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6619   -0.6101   -1.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507   -1.9786    0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790    0.0498    1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0617    0.6091   -0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6816   -1.4319    0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5147   -2.0225   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403    2.0917    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6356    1.0714   -0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5050    2.8815   -1.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4537    1.8861   -2.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7160    2.4472    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4822   -1.2112   -2.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -2.8508   -1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795    3.6493    0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470   -2.6696    2.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1438   -3.2628    0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7464   -2.1851    2.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0749    1.2863    2.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3200    0.4177    1.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5946    0.1614    1.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147   -1.5957    0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7879   -1.9761    1.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7406   -3.0794   -0.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4354   -1.5319   -1.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2029    2.6842    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    1.9084    0.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1392    0.1360   -1.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2860    1.6247   -0.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.5482    1.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8698    2.3598   -1.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0463    3.8548   -1.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8851    1.3311   -2.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4308    2.1268   -2.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2040   -0.7642   -3.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3505   -2.2956   -2.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5522   -1.0486   -2.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8165   -3.5118   -1.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9010   -2.2519   -2.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1121   -3.5540   -1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3289   -2.7773   -1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3397    2.0617   -0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3292    4.5154    0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9380    3.4588    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003    3.8499    1.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
  3 17  1  0  0  0  0
  3 60  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 24  1  0  0  0  0
  5 61  1  0  0  0  0
  6 20  2  0  0  0  0
  7 31  2  0  0  0  0
  8 23  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 22  1  0  0  0  0
  9 26  1  0  0  0  0
  9 49  1  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 15  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 16  1  0  0  0  0
 14 19  2  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
 16 22  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 24  1  0  0  0  0
 19 31  1  0  0  0  0
 21 24  2  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 29  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 30  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 31 34  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
M  END

$$$$