NCI:142594
BBtclserve11129917472D 0   0.00000     0.00000107264
42826-28-8
 17 17  0  0  0  0  0  0  0  0  2 V2000
    3.1711    0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5779   -0.7104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7589    1.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901   -1.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4499    1.9632    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7589    1.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589    2.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679    1.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -3.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3913   -2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589    3.5510    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2212   -4.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -3.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    4.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929    4.0510    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
  8  9  2  0  0  0  0
M  CHG  2  12   1  17  -1
M  END