A1CQA
  CCTOOLS-0522260957

 28 28  0  0  0  0  0  0  0  0999 V2000
   -0.9150    1.1890   -0.7790 C   0  0  0  0  0
   -0.9160   -1.2050   -0.7550 C   0  0  0  0  0
    3.9140   -0.0070   -0.6780 C   0  0  0  0  0
    4.9710    0.0040    0.4280 C   0  0  0  0  0
    6.3670   -0.0020   -0.2000 C   0  0  0  0  0
    1.1900   -0.0140   -1.3980 C   0  0  0  0  0
   -0.2540   -0.0100   -0.9650 C   0  0  0  0  0
   -2.2380    1.1940   -0.3770 C   0  0  0  0  0
   -2.8990   -0.0020   -0.1620 C   0  0  0  0  0
   -2.2370   -1.2010   -0.3480 C   0  0  0  0  0
    2.0770   -1.2180    0.7740 O   0  0  0  0  0
    2.0770    1.2340    0.7490 O   0  0  0  0  0
    7.3540    0.0090    0.8330 O   0  0  0  0  0
    2.2600    0.0010    0.0670 S   0  0  0  0  0
   -4.7090    0.0040    0.3880 BR  0  0  0  0  0
   -0.3980    2.1230   -0.9430 H   0  0  0  0  0
   -0.3980   -2.1420   -0.9010 H   0  0  0  0  0
    4.0350    0.8770   -1.3050 H   0  0  0  0  0
    4.0350   -0.9030   -1.2870 H   0  0  0  0  0
    4.8510    0.9010    1.0360 H   0  0  0  0  0
    4.8510   -0.8790    1.0540 H   0  0  0  0  0
    6.4870   -0.8980   -0.8090 H   0  0  0  0  0
    6.4870    0.8820   -0.8270 H   0  0  0  0  0
    1.3900   -0.9100   -1.9850 H   0  0  0  0  0
    1.3900    0.8700   -2.0030 H   0  0  0  0  0
   -2.7550    2.1310   -0.2320 H   0  0  0  0  0
   -2.7530   -2.1350   -0.1810 H   0  0  0  0  0
    8.2640    0.0050    0.5060 H   0  0  0  0  0
  1  7  2  0  0  0
  1 16  1  0  0  0
  2  7  1  0  0  0
  2 17  1  0  0  0
  3 14  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  3  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  4  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  6  1  0  0  0
  8  1  1  0  0  0
  8 26  1  0  0  0
  9  8  2  0  0  0
  9 10  1  0  0  0
 10  2  2  0  0  0
 10 27  1  0  0  0
 11 14  2  0  0  0
 13  5  1  0  0  0
 13 28  1  0  0  0
 14 12  2  0  0  0
 14  6  1  0  0  0
 15  9  1  0  0  0
M  END
$$$$
