NCI:137888
BBtclserve11129917442D 0   0.00000     0.00000104114
4525-35-3
 18 18  0  0  0  0  0  0  0  0  2 V2000
    4.4055    1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0510    1.9673    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1693    0.5580    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6417    1.8490    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7123    2.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0352    1.7902    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1102    0.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9922   -0.4262    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7009    1.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8188    2.8331    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -2.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -2.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  6   3   1   4   1   5   1   8  -1  10  -1  12  -1
M  END