NCI:273790
BBtclserve11129918412D 0   0.00000     0.00000159508
64729-00-6
 18 19  0  0  0  0  0  0  0  0  2 V2000
    3.5471    0.4568    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538   -0.4568    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8259    2.2168    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1349    1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6751   -2.2168    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4439    2.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -2.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349    3.8046    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8046    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5009    4.3046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7689    4.3046    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -4.3046    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
M  CHG  4  13   1  14   1  16  -1  18  -1
M  END