B78WGS
  -OEChem-04022107092D

 41 43  0     1  0  0  0  0  0999 V2000
    4.4487   -1.6866    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3407    4.0806    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268    3.3104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5705    2.8946    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487   -2.5526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487   -0.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3037   -0.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5766   -2.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.1866    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.9930   -3.4913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -0.1921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5000    0.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    0.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -3.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7565    2.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -3.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -3.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9930   -1.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5486    3.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766   -2.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0570   -0.4143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    0.6055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336    0.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675   -1.9578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -2.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -0.4858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498   -0.0487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7962    0.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.0666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778   -3.4966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0851    1.5986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314    2.3566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -4.3066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1856   -4.0806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 16  1  0  0  0  0
  5 21  1  0  0  0  0
  8 24  2  0  0  0  0
  9 26  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 22  1  0  0  0  0
 11 26  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  1  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 19 23  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
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 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
M  END

$$$$