NCI:111142
BBtclserve11129917292D 0   0.00000     0.00000 85177
999-99-9
 16 17  0  0  0  0  0  0  0  0  2 V2000
    3.7688   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756   -1.2068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3566    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878   -2.0158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476    1.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3566    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -2.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -2.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656    1.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -2.9668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -3.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    3.0546    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7227    3.5546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9906    3.5546    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
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  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
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END