BWC91L
  -OEChem-04022100232D

 55 59  0     1  0  0  0  0  0999 V2000
    4.5649    1.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2176    1.7831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6418   -0.7396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8632    0.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5953    3.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    0.3355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9972    1.8764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292    1.8764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0749   -1.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3839   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169   -1.7290    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8839   -1.9079    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3839   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -0.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6929   -1.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7910   -2.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8427   -3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9717    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5540    1.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5485    1.0399    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0485    0.1739    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0266    0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1312    1.3764    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8632    1.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9972    2.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8632    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292    2.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   -0.9017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5264   -1.5401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4232   -2.2137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4487    0.2476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7774   -0.2401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552    0.2177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2717   -0.1923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029   -1.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2593   -1.0679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   -2.5901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268   -3.3206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9472   -3.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4089   -2.8942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978   -3.8082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920   -3.8886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2184   -0.2309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7249    1.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    1.4163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3263    1.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4293    0.1415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0914   -0.2348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6466    0.3818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6511    1.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0062   -1.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4603    3.1864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2662    1.5664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8632    3.9964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 21  1  0  0  0  0
  2 24  1  0  0  0  0
  3 22  1  0  0  0  0
  3 52  1  0  0  0  0
  4 25  2  0  0  0  0
  5 28  2  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 44  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 25  1  0  0  0  0
  8 28  1  0  0  0  0
  8 54  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 27 55  1  0  0  0  0
M  END

$$$$