A1J3E
  CCTOOLS-0619261019

 35 36  0  0  0  0  0  0  0  0999 V2000
    1.0230   -0.1410   -0.9710 N   0  0  0  0  0
    5.6220    1.4070    0.1970 N   0  0  0  0  0
   -2.4840   -1.4300    1.2850 C   0  0  0  0  0
   -3.4570   -0.4610    1.1260 C   0  0  0  0  0
   -0.1840   -0.6680   -1.6120 C   0  0  0  0  0
    2.1850   -0.1020   -1.6520 C   0  0  0  0  0
    3.4090    0.4330   -1.0030 C   0  0  0  0  0
    5.7370    0.9860   -1.0490 C   0  0  0  0  0
   -4.1270    3.0030    0.7410 N   0  0  0  0  0
   -3.3710    0.4400    0.0810 C   0  0  0  0  0
   -5.7780    1.1820    0.5250 O   0  0  0  0  0
   -2.3120    0.3740   -0.8040 C   0  0  0  0  0
    4.6190    0.4780   -1.6990 C   0  0  0  0  0
    4.3750    1.8350    2.2290 C   0  0  0  0  0
   -1.3390   -0.5950   -0.6460 C   0  0  0  0  0
   -1.4220   -1.4940    0.4020 C   0  0  0  0  0
    4.4580    1.3510    0.8320 C   0  0  0  0  0
    3.3690    0.8750    0.2500 N   0  0  0  0  0
    5.4270    2.3040    2.8130 N   0  0  0  0  0
   -4.5830    2.0530   -1.4910 O   0  0  0  0  0
    2.2320   -0.5040   -2.7980 O   0  0  0  0  0
   -4.6120    1.6750   -0.1210 S   0  0  0  0  0
   -0.0870   -2.8150    0.6230 BR  0  0  0  0  0
    0.9850    0.1840   -0.0580 H   0  0  0  0  0
   -2.5520   -2.1340    2.1010 H   0  0  0  0  0
   -4.2850   -0.4080    1.8180 H   0  0  0  0  0
   -0.4140   -0.0760   -2.4980 H   0  0  0  0  0
   -0.0180   -1.7060   -1.9020 H   0  0  0  0  0
    6.6880    1.0370   -1.5570 H   0  0  0  0  0
   -4.6800    3.3430    1.4610 H   0  0  0  0  0
   -3.2890    3.4420    0.5250 H   0  0  0  0  0
   -2.2460    1.0780   -1.6200 H   0  0  0  0  0
    4.6840    0.1260   -2.7180 H   0  0  0  0  0
    3.4350    1.7960    2.7590 H   0  0  0  0  0
    5.3720    2.6210    3.7280 H   0  0  0  0  0
  1  5  1  0  0  0
  1 24  1  0  0  0
  2  8  2  0  0  0
  2 17  1  0  0  0
  3 25  1  0  0  0
  4  3  2  0  0  0
  4 26  1  0  0  0
  5 15  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  1  1  0  0  0
  6 21  2  0  0  0
  7  6  1  0  0  0
  8 13  1  0  0  0
  8 29  1  0  0  0
  9 22  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10  4  1  0  0  0
 11 22  2  0  0  0
 12 10  2  0  0  0
 12 15  1  0  0  0
 12 32  1  0  0  0
 13  7  2  0  0  0
 13 33  1  0  0  0
 14 17  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 16  3  1  0  0  0
 16 23  1  0  0  0
 17 18  2  0  0  0
 18  7  1  0  0  0
 19 14  2  0  0  0
 19 35  1  0  0  0
 22 20  2  0  0  0
 22 10  1  0  0  0
M  END
$$$$
