B72KRX
  -OEChem-04022106542D

 52 56  0     1  0  0  0  0  0999 V2000
    2.0000   -3.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4827    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -1.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4376    0.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730    2.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231    2.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0155    1.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904    0.3721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.5424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.5424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.4923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.4923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.9347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    1.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    2.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    3.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 19  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  4 37  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 14  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 15 20  1  0  0  0  0
 15 24  2  0  0  0  0
 16 23  1  0  0  0  0
 16 38  1  0  0  0  0
 17 21  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 22  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 27  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END

$$$$