NCI:328039
BBtclserve11129919052D 0   0.00000     0.00000175056
64932-40-7
 15 15  0  0  0  0  0  0  0  0  2 V2000
    4.5032    2.2852    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3693    2.7852    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6372    2.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.6974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    1.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032   -0.2536    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032   -0.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5910   -1.0627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843   -1.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7720   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897   -2.0807    0.0000 O   0  0  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  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END