NCI:648368
BBtclserve11129920032D 0   0.00000     0.00000225780
999-99-9
 18 18  0  0  0  0  0  0  0  0  2 V2000
    2.0000    1.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9993    1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9987    1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6157    2.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5548    1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5181    0.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5564    0.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    3.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5175    0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7921   -0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0564   -0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5564   -1.1554    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6904   -1.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6904   -2.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5564   -3.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4224   -2.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4224   -1.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0564   -0.2893    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 12 17  2  0  0  0  0
  6  7  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2  12   1  18  -1
M  END