NCI:18871
BBtclserve11129916472D 0   0.00000     0.00000 17667
5453-73-6
 17 18  0  0  0  0  0  0  0  0  2 V2000
    4.9921    0.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3230    0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6320    1.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2709   -1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    2.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2709   -1.5987    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6831   -2.4077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709   -2.4647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709   -0.7327    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
  9 12  1  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  2  11   1  16  -1
M  END