TKK
  CCTOOLS-1004241123

 31 33  0  0  0  0  0  0  0  0999 V2000
    2.8810    1.9900   -0.0220 N   0  0  0  0  0
    0.8400   -1.3360    2.7690 C   0  0  0  0  0
    1.6200   -2.3920    2.3300 C   0  0  0  0  0
    2.4540   -2.2350    1.2370 C   0  0  0  0  0
    1.7290    0.0450    1.0160 C   0  0  0  0  0
   -4.7270    0.7510    0.5810 C   0  0  0  0  0
   -3.3110    1.0980    0.4050 C   0  0  0  0  0
   -2.8210    2.3170    0.8900 C   0  0  0  0  0
   -1.4930    2.6380    0.7230 C   0  0  0  0  0
   -2.4440    0.2080   -0.2430 C   0  0  0  0  0
   -1.1170    0.5390   -0.4050 C   0  0  0  0  0
   -0.6370    1.7530    0.0740 C   0  0  0  0  0
    1.7860    1.3450    0.3150 C   0  0  0  0  0
    2.5130   -1.0240    0.5780 C   0  0  0  0  0
    0.8850   -0.1220    2.1160 C   0  0  0  0  0
    2.5500    3.1310   -0.6400 C   0  0  0  0  0
    1.2050    3.2120   -0.6960 C   0  0  0  0  0
    0.7100    2.0840   -0.0920 N   0  0  0  0  0
   -3.0950   -1.4440   -0.8930 BR  0  0  0  0  0
    3.6600   -0.8090   -0.9110 BR  0  0  0  0  0
    0.1920   -1.4650    3.6230 H   0  0  0  0  0
    1.5780   -3.3410    2.8420 H   0  0  0  0  0
    3.0610   -3.0630    0.9000 H   0  0  0  0  0
   -5.3930    1.4390    1.0800 H   0  0  0  0  0
   -3.4840    3.0050    1.3940 H   0  0  0  0  0
   -1.1150    3.5780    1.0970 H   0  0  0  0  0
   -0.4470   -0.1470   -0.9040 H   0  0  0  0  0
    0.2760    0.7000    2.4600 H   0  0  0  0  0
    3.2430    3.8620   -1.0280 H   0  0  0  0  0
    0.6280    4.0130   -1.1320 H   0  0  0  0  0
   -5.1480   -0.3070    0.1640 O   0  0  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4 23  1  0  0  0
  5 14  2  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 31  2  0  0  0
  7 10  1  0  0  0
  8  7  2  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 12  2  0  0  0
  9 26  1  0  0  0
 10 19  1  0  0  0
 10 11  2  0  0  0
 11 27  1  0  0  0
 12 11  1  0  0  0
 12 18  1  0  0  0
 13  5  1  0  0  0
 13  1  2  0  0  0
 14  4  1  0  0  0
 14 20  1  0  0  0
 15  2  2  0  0  0
 15  5  1  0  0  0
 15 28  1  0  0  0
 16  1  1  0  0  0
 16 29  1  0  0  0
 17 16  2  0  0  0
 17 30  1  0  0  0
 18 17  1  0  0  0
 18 13  1  0  0  0
M  END
$$$$