BADF58
  -OEChem-04012113292D

 52 54  0     1  0  0  0  0  0999 V2000
    6.8671   -0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3221   -0.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9685   -0.3240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6793    0.8327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6793    2.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9900   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2791   -1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2576   -1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5683   -2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9255   -0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5468   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9040   -0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2147   -1.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8230    2.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418    0.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167    2.7514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4283    3.0091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    3.1124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    3.1124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7238    1.2228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7238    2.0522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    2.7201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    2.0298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3825    0.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6653   -1.3619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2586   -1.8942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -0.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -0.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.7575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -2.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7329   -0.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7394   -3.2268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3181   -0.4812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8213   -2.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3 17  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
 14  5  1  1  0  0  0
  5 17  1  0  0  0  0
  5 38  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 39  1  0  0  0  0
 19  7  1  6  0  0  0
  7 46  1  0  0  0  0
  7 47  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  1  0  0  0
  9 12  1  0  0  0  0
  9 16  1  1  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  2  0  0  0  0
 23 49  1  0  0  0  0
 24 26  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END

$$$$