NCI:400039
BBtclserve11129919212D 0   0.00000     0.00000190608
7464-80-4
 20 20  0  0  0  0  0  0  0  0  2 V2000
    4.4161   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2821    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4161   -1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2821    1.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1482   -0.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501    1.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6841   -0.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6071   -1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2251   -1.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1482    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6841    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6171   -1.6775    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.9161   -2.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1762   -1.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9161   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1482    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6841    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2441   -0.7496    0.0000 O   0  5  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
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  2  13   1  20  -1
M  END