NCI:629379
BBtclserve11129919442D 0   0.00000     0.00000216082
999-99-9
 18 18  0  0  0  0  0  0  0  0  2 V2000
    4.5032    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154    1.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3222    2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344    3.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167    2.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0910    1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5910   -1.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.4907    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    1.4688    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4154   -1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8222   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344   -3.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -2.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1 10  1  0  0  0  0
  4 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  4  5  1  0  0  0  0
M  CHG  2  12   1  14  -1
M  END