NCI:22098
BBtclserve11129916492D 0   0.00000     0.00000 20253
5445-56-7
 18 18  0  0  0  0  0  0  0  0  2 V2000
    3.0000    4.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5000    4.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    2.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    2.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0980   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0980   -4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641   -4.8660    0.0000 C   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  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END