BR13WD
  -OEChem-04012112462D

 40 42  0     0  0  0  0  0  0999 V2000
    3.0308   -3.3954    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212    4.2614    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    4.0402    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8646    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5100    0.4563    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308   -4.2614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308   -2.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    1.1046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878    1.6924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -2.8954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7058    1.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6569    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968    2.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968    2.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628   -0.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308   -0.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -1.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628   -1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308   -1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    2.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8648    0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    3.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3511    1.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8158    0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5590    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648   -3.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7612    3.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2998   -0.0854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938   -0.0854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2998   -1.7054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938   -1.7054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711    2.6589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040   -0.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4337   -3.2054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8118    2.1583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9448   -0.5103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548   -3.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6278   -4.2054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747   -4.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 10  1  0  0  0  0
  1 27  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  1  0  0  0  0
  5 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 18  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 21  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 23  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 24  1  0  0  0  0
 21 33  1  0  0  0  0
 22 25  2  0  0  0  0
 22 34  1  0  0  0  0
 24 26  2  0  0  0  0
 24 36  1  0  0  0  0
 25 26  1  0  0  0  0
 25 37  1  0  0  0  0
 27 38  1  0  0  0  0
 27 39  1  0  0  0  0
 27 40  1  0  0  0  0
M  END

$$$$