NCI:47050
BBtclserve11129917022D 0   0.00000     0.00000 40664
6331-18-6
 16 17  0  0  0  0  0  0  0  0  1 V2000
    2.4679    0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3368    0.8710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838    1.5828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -0.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3268    0.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5087   -0.1141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777    1.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656    2.2787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5797    2.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857   -0.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -0.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857   -1.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -1.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -2.3009    0.0000 C   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  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
  8 11  1  0  0  0  0
 15 16  1  0  0  0  0
M  END