B42YAO
  -OEChem-04012115102D

 53 56  0     0  0  0  0  0  0999 V2000
    4.3211    0.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.7440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.1076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    3.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391    3.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9329    4.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -4.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -4.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1551    3.2816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0518    2.9763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7588    3.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5082    4.7998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6053    5.0949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1895    4.3142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963    3.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9004    3.1574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071    2.6251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    1.7077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9498    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6714    0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0633    1.8793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    1.0994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    0.4295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    0.9618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3823   -3.6964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8396   -4.6372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5741   -4.1584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0953   -3.4238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -4.1545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070   -5.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7826   -4.9826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 42  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 21  1  0  0  0  0
  5 16  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 43  1  0  0  0  0
 20 24  2  0  0  0  0
 20 44  1  0  0  0  0
 21 25  2  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
M  END

$$$$