NCI:329114
BBtclserve11129919062D 0   0.00000     0.00000175437
85044-75-3
 19 20  0  0  0  0  0  0  0  0  2 V2000
    3.7321    0.1791    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    1.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321   -0.6869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595    2.3428    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6808    1.8815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1674    3.3209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0084    2.0337    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0875    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3209    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  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  1  0  0  0  0
M  CHG  2  11   1  17  -1
M  END