NCI:348994
BBtclserve11129919112D 0   0.00000     0.00000180466
77531-31-8
 17 18  0  0  0  0  0  0  0  0  1 V2000
    4.7487    1.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487    0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827   -0.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1147   -0.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7487    1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5166    0.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827   -1.2415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9807    0.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1147   -1.2415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7869    1.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3064    1.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487   -1.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7503    2.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3058    1.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894    2.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487   -2.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
M  END