NCI:88354
BBtclserve11129917192D 0   0.00000     0.00000 69789
1557-15-9
 18 19  0  0  0  0  0  0  0  0  2 V2000
    4.9921   -1.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9703   -1.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831   -0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2793   -2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394   -0.6437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2709    0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2575   -2.5459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6102   -3.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831    1.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5811    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.0811    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  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 10 12  1  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  15   1  18  -1
M  END