NCI:142010
BBtclserve11129917462D 0   0.00000     0.00000106788
999-99-9
 20 21  0  0  0  0  0  0  0  0  2 V2000
    5.3500    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840    3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794   -2.7820    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704   -1.3808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -2.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013   -2.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -3.9035    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -4.7125    0.0000 O   0  5  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
  2  5  1  0  0  0  0
  4  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  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 10 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  2  18   1  20  -1
M  END