NCI:178904
BBtclserve11129918112D 0   0.00000     0.00000130756
31271-13-3
 16 17  0  0  0  0  0  0  0  0  2 V2000
    3.7601    0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.7651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5396    0.9160    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7306    2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2088    1.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7088    2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2033    1.5546    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7911    2.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6100    0.6410    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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  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
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
M  CHG  2  14   1  16  -1
M  END