NCI:35344
BBtclserve11129916552D 0   0.00000     0.00000 30726
6277-16-3
 18 19  0  0  0  0  0  0  0  0  2 V2000
    2.8660    1.3988    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    1.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    2.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3093    2.1307    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8971    2.9397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160    1.2171    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6012    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.1012    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  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  8  9  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  4  12   1  15  -1  16   1  18  -1
M  END