NCI:660330
BBtclserve11129920082D 0   0.00000     0.00000231228
999-99-9
 18 19  0  0  0  0  0  0  0  0  2 V2000
    3.6811   -0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9901    0.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1811    1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    0.7259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811   -0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1811    2.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0471    2.8137    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    4.5471    1.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    2.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6298    3.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7162    3.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933   -1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.9477    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    3.4781   -2.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -3.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -3.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3040    3.4828    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
  4  5  1  0  0  0  0
 10 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  3   7   1  13   1  18  -1
M  END