BN5IF1
  -OEChem-04012113242D

 90 93  0     1  0  0  0  0  0999 V2000
    9.7942   -2.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -3.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942   -1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7942    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0029   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6044   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4482   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0497   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9842   -3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
  5 27  1  0  0  0  0
  6 89  1  0  0  0  0
  7 90  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 18  1  0  0  0  0
 10 18  1  0  0  0  0
 21 10  1  6  0  0  0
 10 61  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  6  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 55  1  0  0  0  0
 19 22  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20 23  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 21 24  1  0  0  0  0
 21 27  1  0  0  0  0
 21 60  1  0  0  0  0
 22 25  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 26  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 28  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 29  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 30  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 27 72  1  0  0  0  0
 27 73  1  0  0  0  0
 28 35  2  0  0  0  0
 28 36  1  0  0  0  0
 29 31  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  2  0  0  0  0
 30 34  1  0  0  0  0
 31 37  1  0  0  0  0
 31 74  1  0  0  0  0
 32 38  1  0  0  0  0
 32 75  1  0  0  0  0
 33 39  2  0  0  0  0
 33 76  1  0  0  0  0
 34 40  2  0  0  0  0
 34 77  1  0  0  0  0
 35 41  1  0  0  0  0
 35 78  1  0  0  0  0
 36 42  2  0  0  0  0
 36 79  1  0  0  0  0
 37 43  2  0  0  0  0
 37 80  1  0  0  0  0
 38 44  2  0  0  0  0
 38 81  1  0  0  0  0
 39 43  1  0  0  0  0
 39 82  1  0  0  0  0
 40 44  1  0  0  0  0
 40 83  1  0  0  0  0
 41 45  2  0  0  0  0
 41 84  1  0  0  0  0
 42 45  1  0  0  0  0
 42 85  1  0  0  0  0
 43 86  1  0  0  0  0
 44 87  1  0  0  0  0
 45 88  1  0  0  0  0
M  END

$$$$