H9X
  CCTOOLS-0410261002

 33 34  0  0  0  0  0  0  0  0999 V2000
   -2.2740    0.6360   -0.6550 C   0  0  0  0  0
   -3.3170    1.5430   -0.6410 C   0  0  0  0  0
   -4.5850    1.1340   -0.2720 C   0  0  0  0  0
    3.6240    0.8570    0.5090 C   0  0  0  0  0
    1.4710   -0.1070    0.0750 C   0  0  0  0  0
    2.0730   -1.3340   -0.1760 C   0  0  0  0  0
    3.4440   -1.4620   -0.0740 C   0  0  0  0  0
    4.2200   -0.3670    0.2630 C   0  0  0  0  0
    2.2520    0.9890    0.4190 C   0  0  0  0  0
    0.0830    0.0240   -0.0180 N   0  0  0  0  0
    1.6140    2.2970    0.6880 N   0  3  0  0  0
   -2.5000   -0.6830   -0.3070 C   0  0  0  0  0
    1.2440   -2.5040   -0.5430 N   0  3  0  0  0
   -4.8100   -0.1840    0.0830 C   0  0  0  0  0
   -3.7690   -1.0940    0.0560 C   0  0  0  0  0
    0.9080    1.6650   -1.5810 O   0  0  0  0  0
   -0.9670    2.7150   -0.6350 O   0  0  0  0  0
    2.1450    3.3240    0.3040 O   0  0  0  0  0
    0.5590    2.3480    1.2940 O   0  5  0  0  0
    1.7750   -3.5710   -0.7950 O   0  0  0  0  0
    0.0310   -2.4000   -0.5920 O   0  5  0  0  0
   -0.6140    1.1730   -1.1380 S   0  0  0  0  0
   -6.5430   -0.7440    0.5880 BR  0  0  0  0  0
    6.0980   -0.5440    0.3880 BR  0  0  0  0  0
   -3.1410    2.5720   -0.9180 H   0  0  0  0  0
   -5.3990    1.8430   -0.2600 H   0  0  0  0  0
    4.2310    1.7090    0.7770 H   0  0  0  0  0
    3.9110   -2.4180   -0.2610 H   0  0  0  0  0
   -0.4940   -0.5220    0.5390 H   0  0  0  0  0
   -1.6850   -1.3910   -0.3180 H   0  0  0  0  0
   -3.9440   -2.1240    0.3330 H   0  0  0  0  0
    1.3810    1.0290   -2.1360 H   0  0  0  0  0
   -1.8600    2.8180   -0.2800 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  2 25  1  0  0  0
  3  2  2  0  0  0
  3 26  1  0  0  0
  4  9  2  0  0  0
  4 27  1  0  0  0
  5 10  1  0  0  0
  6 13  1  0  0  0
  6  5  2  0  0  0
  7  6  1  0  0  0
  7 28  1  0  0  0
  8  7  2  0  0  0
  8  4  1  0  0  0
  9 11  1  0  0  0
  9  5  1  0  0  0
 10 29  1  0  0  0
 11 18  2  0  0  0
 12  1  2  0  0  0
 12 30  1  0  0  0
 13 20  2  0  0  0
 14  3  1  0  0  0
 15 14  2  0  0  0
 15 12  1  0  0  0
 15 31  1  0  0  0
 16 22  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 19 11  1  0  0  0
 21 13  1  0  0  0
 22 10  1  0  0  0
 22 17  1  0  0  0
 23 14  1  0  0  0
 24  8  1  0  0  0
M  CHG  1  11   1
M  CHG  1  13   1
M  CHG  1  19  -1
M  CHG  1  21  -1
M  END
$$$$
