B9J5HW
  -OEChem-04022100122D

 41 43  0     0  0  0  0  0  0999 V2000
    5.4641    3.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  9  1  0  0  0  0
  1 21  1  0  0  0  0
  4 24  1  0  0  0  0
  4 41  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 19  2  0  0  0  0
 10 20  1  0  0  0  0
 11 17  2  0  0  0  0
 11 26  1  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  2  0  0  0  0
 13 28  1  0  0  0  0
 14 18  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 32  1  0  0  0  0
 19 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 25  2  0  0  0  0
 22 38  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$