NCI:111001
BBtclserve11129917292D 0   0.00000     0.00000 85084
999-99-9
 18 19  0  0  0  0  0  0  0  0  1 V2000
    4.9921    1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9703    1.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3230    2.2516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831    0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2709   -0.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2709   -0.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831   -1.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709   -1.1176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7709    0.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7709   -1.1176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  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
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7 10  1  0  0  0  0
 13 17  1  0  0  0  0
M  END