NCI:245214
BBtclserve11129918332D 0   0.00000     0.00000152251
31554-45-7
 18 19  0  0  0  0  0  0  0  0  2 V2000
    5.8424    0.1481    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.5855    0.8172    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0503   -0.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    0.4571    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    2.2172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3502   -1.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1126    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0823   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7  9  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  4   1   1   2  -1  12   1  17  -1
M  END