NCI:122232
BBtclserve11129917362D 0   0.00000     0.00000 93264
21691-17-8
 18 18  0  0  0  0  0  0  0  0  2 V2000
    6.4505    0.6563    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6224    1.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4654    0.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4356    0.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786   -0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5615    1.9851    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4125   -0.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1446   -0.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5006    2.3288    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.4734   -0.4851    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -1.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1446   -1.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5344   -0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8171    0.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1298   -1.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786   -2.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7672   -0.7829    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4242    0.0000 N   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  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 17 18  2  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  4   6   1   9  -1  17   1  18  -1
M  END