NCI:245216
BBtclserve11129918332D 0   0.00000     0.00000152253
37791-31-4
 20 20  0  0  0  0  0  0  0  0  2 V2000
    4.5032    1.1307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3693    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3693    2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -0.4571    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    3.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    3.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.1481    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0032   -1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032   -1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9673    1.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    2.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.8301    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5910   -2.2172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1843   -3.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855   -2.1126    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  4  11   1  17  -1  18   1  20  -1
M  END