A1B6L
  CCTOOLS-0522260957

 29 31  0  0  1  0  0  0  0  0999 V2000
    4.8960   -0.4770    0.6050 C   0  0  0  0  0
    3.8200    0.0120   -0.2730 C   0  0  0  0  0
    3.9260    0.3950   -1.5820 C   0  0  0  0  0
    1.8040    0.6530   -1.0400 C   0  0  0  0  0
    2.4080    0.1870    0.0670 C   0  0  0  0  0
   -0.3750    0.2930    0.0630 C   0  0  0  0  0
   -4.0870    0.6950    0.1640 C   0  0  0  0  0
   -3.9760    2.0120    0.3490 C   0  0  0  0  0
    0.3290    0.9700   -1.1170 C   0  0  0  0  0
   -2.7900   -1.8530   -0.2030 BR  0  0  0  0  0
    6.1540   -0.5810    0.1350 O   0  0  0  0  0
    2.7170    0.7720   -2.0120 O   0  0  0  0  0
    1.7190   -0.0810    1.3780 C   0  0  0  0  0
    0.3600    0.6310    1.3630 C   0  0  0  0  0
   -1.7970    0.7860    0.1490 C   0  0  0  0  0
   -2.8840    0.0180    0.0560 C   0  0  0  0  0
   -2.2760    2.4600    0.3960 S   0  0  0  0  0
    4.6500   -0.7830    1.7550 O   0  0  0  0  0
    4.8330    0.3930   -2.1680 H   0  0  0  0  0
   -0.3740   -0.7870   -0.0840 H   0  0  0  0  0
   -5.0430    0.1950    0.1070 H   0  0  0  0  0
   -4.8040    2.6970    0.4550 H   0  0  0  0  0
    0.1840    2.0490   -1.0610 H   0  0  0  0  0
   -0.0790    0.5910   -2.0540 H   0  0  0  0  0
    6.8280   -0.9030    0.7500 H   0  0  0  0  0
    1.5710   -1.1540    1.5020 H   0  0  0  0  0
    2.3270    0.3030    2.1970 H   0  0  0  0  0
    0.5130    1.7080    1.4250 H   0  0  0  0  0
   -0.2340    0.2970    2.2140 H   0  0  0  0  0
  1 18  2  0  0  0
  1 11  1  0  0  0
  2  1  1  0  0  0
  3  2  2  0  0  0
  3 19  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5 13  1  0  0  0
  5  2  1  0  0  0
  6 14  1  0  0  0
  6 20  1  0  0  0
  7 16  1  0  0  0
  7 21  1  0  0  0
  8  7  2  0  0  0
  8 17  1  0  0  0
  8 22  1  0  0  0
  9  6  1  0  0  0
  9  4  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 11 25  1  0  0  0
 12  3  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 13  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15  6  1  0  0  0
 16 10  1  0  0  0
 16 15  2  0  0  0
 17 15  1  0  0  0
M  END
$$$$
