B95GVL
  -OEChem-04012118422D

 20 21  0     0  0  0  0  0  0999 V2000
    3.6750    0.4571    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    3.1307    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9483    2.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    2.2172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674    0.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$