B1X0OW
  -OEChem-04012118282D

 64 68  0     1  0  0  0  0  0999 V2000
    3.7071    0.1367    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9142   -0.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    0.1117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4142    1.8438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9142   -2.4864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2461   -4.0612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6472   -1.9216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    2.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8411    3.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5731    3.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    1.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8411    4.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5731    4.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    4.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    1.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9142    0.9777    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9142    0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4142    0.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142    0.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4142    0.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9142   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4142   -1.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9142   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142   -1.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5091   -3.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5306   -3.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9029   -2.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1092   -3.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2199   -4.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628   -2.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0597   -3.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8040   -3.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5978   -2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2305    3.1585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290    2.4683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7852    2.4683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1837    3.1585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290    4.6335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2305    3.9432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1837    3.9432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7852    4.6335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1056    5.0258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086    5.0258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7242    2.3807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    0.9777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4968    1.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    1.5883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7242    0.6487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2942   -0.7543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5342   -0.7543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -2.1573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9239   -3.7282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6306   -4.3583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0273   -5.1402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8092   -4.7435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242   -2.4420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4487   -2.3946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4013   -3.2701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1875   -4.4852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3933   -3.4033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0592   -1.8182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 15  2  0  0  0  0
  3 20  1  0  0  0  0
  3 52  1  0  0  0  0
  4 20  2  0  0  0  0
  5 12  1  0  0  0  0
 18  5  1  1  0  0  0
  5 46  1  0  0  0  0
  6 24  1  0  0  0  0
  6 27  1  0  0  0  0
  6 29  1  0  0  0  0
  7 27  2  0  0  0  0
  7 30  1  0  0  0  0
  8 29  1  0  0  0  0
  8 35  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 17  2  0  0  0  0
 13 16  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 50  1  0  0  0  0
 23 26  2  0  0  0  0
 23 51  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 55  1  0  0  0  0
 29 30  2  0  0  0  0
 30 33  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  2  0  0  0  0
 33 62  1  0  0  0  0
 34 35  1  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
M  END

$$$$