A1BY1
  CCTOOLS-0313261112

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.3030    0.9240    0.2650 C   0  0  0  0  0
   -3.0110   -1.4290    1.3910 C   0  0  0  0  0
   -3.8070   -2.1890    2.1960 C   0  0  0  0  0
   -5.1270   -2.4630    1.8470 C   0  0  0  0  0
   -5.6630   -1.9800    0.6910 C   0  0  0  0  0
   -1.0140    1.4830    0.0840 C   0  0  0  0  0
    2.0970   -1.2980   -0.2990 C   0  0  0  0  0
    3.6320    0.3860    0.4540 C   0  0  0  0  0
    2.6060    1.2970    0.5810 C   0  0  0  0  0
    0.8560    4.0800   -0.3470 C   0  0  0  0  0
   -0.3370   -0.7700   -0.5010 C   0  0  0  0  0
   -1.3480    0.2140   -0.3630 C   0  0  0  0  0
   -2.7540   -0.1160   -0.6800 C   0  0  0  0  0
   -3.3480    0.3500   -1.8430 C   0  0  0  0  0
   -5.3730   -0.6690   -1.3650 C   0  0  0  0  0
   -4.8730   -1.1930   -0.1620 C   0  0  0  0  0
   -3.5290   -0.9160    0.1960 C   0  0  0  0  0
    0.5480    3.1830    0.8530 C   0  0  0  0  0
    1.1410    5.4460    0.1220 C   0  0  0  0  0
    1.0490   -0.3860   -0.1760 C   0  0  0  0  0
    3.3810   -0.9070    0.0140 C   0  0  0  0  0
   -4.6060    0.0630   -2.1400 N   0  0  0  0  0
    0.2640    1.8230    0.3850 N   0  0  0  0  0
    1.3620    6.5000    0.4840 N   0  0  0  0  0
   -0.6030   -1.8960   -0.8870 O   0  0  0  0  0
   -1.9860    2.4100    0.2100 O   0  0  0  0  0
    4.8070   -2.1360   -0.1560 BR  0  0  0  0  0
   -1.9910   -1.2200    1.6750 H   0  0  0  0  0
   -3.4080   -2.5840    3.1180 H   0  0  0  0  0
   -5.7360   -3.0680    2.5020 H   0  0  0  0  0
   -6.6880   -2.2020    0.4330 H   0  0  0  0  0
    1.9040   -2.3050   -0.6370 H   0  0  0  0  0
    4.6420    0.6820    0.6960 H   0  0  0  0  0
    2.8130    2.3000    0.9240 H   0  0  0  0  0
    1.7240    3.6900   -0.8800 H   0  0  0  0  0
   -0.0040    4.0990   -1.0180 H   0  0  0  0  0
   -2.7720    0.9610   -2.5220 H   0  0  0  0  0
   -6.3920   -0.8720   -1.6570 H   0  0  0  0  0
    1.4070    3.1640    1.5230 H   0  0  0  0  0
   -0.3200    3.5730    1.3850 H   0  0  0  0  0
   -2.8660    2.0930   -0.0320 H   0  0  0  0  0
  1 23  1  0  0  0
  1  9  1  0  0  0
  2 17  1  0  0  0
  2 28  1  0  0  0
  3  2  2  0  0  0
  3 29  1  0  0  0
  4  3  1  0  0  0
  4 30  1  0  0  0
  5  4  2  0  0  0
  5 31  1  0  0  0
  6 12  2  0  0  0
  7 20  1  0  0  0
  7 32  1  0  0  0
  8 21  1  0  0  0
  8 33  1  0  0  0
  9  8  2  0  0  0
  9 34  1  0  0  0
 10 18  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 25  2  0  0  0
 11 20  1  0  0  0
 12 11  1  0  0  0
 13 12  1  0  0  0
 13 17  1  0  0  0
 14 13  2  0  0  0
 14 37  1  0  0  0
 15 22  2  0  0  0
 15 38  1  0  0  0
 16 15  1  0  0  0
 16  5  1  0  0  0
 17 16  2  0  0  0
 18 23  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 10  1  0  0  0
 20  1  2  0  0  0
 21  7  2  0  0  0
 22 14  1  0  0  0
 23  6  1  0  0  0
 24 19  3  0  0  0
 26  6  1  0  0  0
 26 41  1  0  0  0
 27 21  1  0  0  0
M  END
$$$$
