NCI:648369
BBtclserve11129920032D 0   0.00000     0.00000225781
999-99-9
 17 18  0  0  0  0  0  0  0  0  2 V2000
    3.7321    0.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9164    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935    2.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503    2.9164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215    2.6996    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3887   -0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2389   -0.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  2  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7  8  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  2   3   1  13  -1
M  END