NCI:302649
BBtclserve11129918502D 0   0.00000     0.00000168265
10598-82-0
 18 19  0  0  0  0  0  0  0  0  2 V2000
    3.0935    2.8428    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.3014    3.8209    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1424    2.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    2.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.1791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    2.3815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.8209    0.0000 C   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
    2.8660   -2.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3209    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.8209    0.0000 O   0  5  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  2  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
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  8  9  2  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  4   1   1   2  -1  16   1  18  -1
M  END