NCI:50356
BBtclserve11129917032D 0   0.00000     0.00000 42993
999-99-9
 18 18  0  0  0  0  0  0  0  0  2 V2000
    4.0823    0.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    2.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163    2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503    0.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -0.9571    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -0.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823   -1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    2.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -2.7172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4013   -3.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6126    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  2  16   1  18  -1
M  END