NCI:169544
BBtclserve11129918032D 0   0.00000     0.00000125086
999-99-9
 20 21  0  0  0  0  0  0  0  0  2 V2000
    4.5981    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5687    2.7820    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3777    1.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    3.9035    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.9481    4.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3658    4.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7125    0.0000 C   0  0  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
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  8  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  3  12   1  13   1  15  -1
M  END