NCI:329111
BBtclserve11129919062D 0   0.00000     0.00000175434
40647-46-9
 15 15  0  0  0  0  0  0  0  0  2 V2000
    3.7601    3.6033    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6261    4.1033    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8941    4.1033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    2.0155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    2.0155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4912   -1.4672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3102   -3.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169   -4.1033    0.0000 O   0  0  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  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8  9  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END