BJ9RT4
  -OEChem-04012114372D

 68 71  0     1  0  0  0  0  0999 V2000
    8.2981    1.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2128    1.5473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6304    0.8428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    2.4132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8115    2.5654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8334    2.7733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    1.8254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5211    2.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7288    3.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0902    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6424    4.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115    3.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2182    1.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6195    0.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6140    0.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2018    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0207   -0.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1963    1.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0153   -0.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6031    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9938    2.1745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8826    1.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9547    2.6654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111    1.8763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4366    3.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7653    3.9809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5372    4.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224    3.6389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8949    3.9809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2237    3.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1440    4.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3324    4.7115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8131    3.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7264    3.8922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.6354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.5669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.5920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.2822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179    0.4838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6627    0.0153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9496    1.9047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6563   -0.8859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.9846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.9846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5607    1.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2674   -1.0552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2197    0.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.1376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 18  2  0  0  0  0
  3 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 19  2  0  0  0  0
  5 25  1  0  0  0  0
  5 35  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8 20  1  0  0  0  0
  8 50  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  6  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  6  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 16  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 23  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 24  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 26 30  1  0  0  0  0
 26 57  1  0  0  0  0
 27 32  1  0  0  0  0
 27 58  1  0  0  0  0
 28 33  2  0  0  0  0
 28 59  1  0  0  0  0
 29 31  1  0  0  0  0
 29 60  1  0  0  0  0
 30 31  2  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 34  2  0  0  0  0
 32 63  1  0  0  0  0
 33 34  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
M  END

$$$$