8BA
  CCTOOLS-0919241032

 35 37  0  0  1  0  0  0  0  0999 V2000
   -4.7010   -0.6380    0.9520 P   0  0  0  0  0
   -3.3800    0.2810    0.9030 O   0  0  0  0  0
   -2.7900    0.7300   -0.3190 C   0  0  0  0  0
   -1.5550    1.5770   -0.0070 C   0  0  0  0  0
   -0.5200    0.7670    0.5920 O   0  0  0  0  0
   -0.9000    2.0900   -1.3150 C   0  0  0  0  0
   -1.5070    3.3100   -1.7450 O   0  0  0  0  0
    0.5650    2.3270   -0.8740 C   0  0  0  0  0
    0.7240    1.4580    0.3880 C   0  0  0  0  0
    1.8050    0.4890    0.1930 N   0  0  0  0  0
    1.7550   -0.6300   -0.5850 C   0  0  0  0  0
    2.8930   -1.2620   -0.5290 N   0  0  0  0  0
    3.7420   -0.5900    0.2860 C   0  0  0  0  0
    5.0650   -0.7890    0.7140 C   0  0  0  0  0
    5.6030    0.1000    1.5420 N   0  0  0  0  0
    4.9170    1.1490    1.9600 C   0  0  0  0  0
    3.6760    1.3750    1.5860 N   0  0  0  0  0
    3.0570    0.5440    0.7540 C   0  0  0  0  0
   -5.8890    0.1890    0.6430 O   0  0  0  0  0
   -4.5830   -1.7260   -0.0450 O   0  0  0  0  0
    5.7920   -1.8850    0.2820 N   0  0  0  0  0
    0.2550   -1.1830   -1.5960 BR  0  0  0  0  0
   -4.8580   -1.2730    2.4230 O   0  0  0  0  0
   -2.4970   -0.1310   -0.9190 H   0  0  0  0  0
   -3.5120    1.3300   -0.8720 H   0  0  0  0  0
   -1.8160    2.4100    0.6460 H   0  0  0  0  0
   -0.9530    1.3340   -2.0990 H   0  0  0  0  0
   -1.1320    3.6710   -2.5590 H   0  0  0  0  0
    1.2550    2.0000   -1.6520 H   0  0  0  0  0
    0.7270    3.3790   -0.6380 H   0  0  0  0  0
    0.9420    2.0900    1.2490 H   0  0  0  0  0
    5.3930    1.8470    2.6330 H   0  0  0  0  0
    5.3880   -2.5270   -0.3230 H   0  0  0  0  0
    6.7050   -2.0110    0.5840 H   0  0  0  0  0
   -5.6350   -1.8400    2.5260 H   0  0  0  0  0
  1 19  2  0  0  0
  1 23  1  0  0  0
  2  1  1  0  0  0
  3  2  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  3  1  0  0  0
  4  6  1  0  0  0
  4 26  1  0  0  0
  5  9  1  0  0  0
  6  8  1  0  0  0
  6 27  1  0  0  0
  7  6  1  0  0  0
  7 28  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9  8  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 18  1  0  0  0
 11 10  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 21  1  0  0  0
 14 15  2  0  0  0
 16 15  1  0  0  0
 16 32  1  0  0  0
 17 16  2  0  0  0
 18 13  2  0  0  0
 18 17  1  0  0  0
 20  1  2  0  0  0
 21 33  1  0  0  0
 21 34  1  0  0  0
 22 11  1  0  0  0
 23 35  1  0  0  0
M  END
$$$$
