A1KEH
  CCTOOLS-0731261038

 51 54  0  0  0  0  0  0  0  0999 V2000
   -2.3200   -2.0720    0.8960 O   0  0  0  0  0
   -1.1910   -1.7390    0.5860 C   0  0  0  0  0
   -0.8270   -0.4360    0.5530 N   0  0  0  0  0
    0.4380   -0.0790    0.2030 C   0  0  0  0  0
    0.7890    1.3860    0.1830 C   0  0  0  0  0
    2.1930    1.5480   -0.2180 N   0  0  0  0  0
    2.5070    2.9600   -0.4780 C   0  0  0  0  0
    3.9520    3.0770   -0.9690 C   0  0  0  0  0
    4.8570    2.5180    0.0450 N   0  0  0  0  0
    4.5430    1.1060    0.3060 C   0  0  0  0  0
    3.0980    0.9890    0.7960 C   0  0  0  0  0
    1.3600   -0.9380   -0.1140 N   0  0  0  0  0
    1.1170   -2.2720   -0.1180 C   0  0  0  0  0
   -0.1690   -2.7360    0.2370 C   0  0  0  0  0
   -0.4410   -4.1030    0.2450 C   0  0  0  0  0
    0.5550   -4.9950   -0.0910 C   0  0  0  0  0
    1.8210   -4.5430   -0.4350 C   0  0  0  0  0
    2.1080   -3.1960   -0.4590 C   0  0  0  0  0
   -1.7620    0.5560    0.8810 C   0  0  0  0  0
   -1.8860    0.9870    2.1940 C   0  0  0  0  0
   -2.8050    1.9680    2.5140 C   0  0  0  0  0
   -3.6020    2.5230    1.5300 C   0  0  0  0  0
   -3.4840    2.0980    0.2190 C   0  0  0  0  0
   -2.5650    1.1150   -0.1110 C   0  0  0  0  0
   -2.4440    0.7000   -1.4000 O   0  0  0  0  0
   -3.3000    1.3170   -2.3630 C   0  0  0  0  0
   -3.0220    0.7260   -3.7460 C   0  0  0  0  0
    0.1460    1.9040   -0.5280 H   0  0  0  0  0
    0.6440    1.8080    1.1780 H   0  0  0  0  0
    1.8310    3.3480   -1.2410 H   0  0  0  0  0
    2.3870    3.5350    0.4400 H   0  0  0  0  0
    4.0650    2.5250   -1.9010 H   0  0  0  0  0
    4.1950    4.1260   -1.1350 H   0  0  0  0  0
    4.8250    3.0590    0.8970 H   0  0  0  0  0
    4.6630    0.5310   -0.6130 H   0  0  0  0  0
    5.2190    0.7180    1.0680 H   0  0  0  0  0
    2.9850    1.5410    1.7290 H   0  0  0  0  0
    2.8540   -0.0600    0.9620 H   0  0  0  0  0
   -1.4240   -4.4600    0.5120 H   0  0  0  0  0
    0.3480   -6.0550   -0.0850 H   0  0  0  0  0
    2.5900   -5.2550   -0.6950 H   0  0  0  0  0
    3.0960   -2.8560   -0.7290 H   0  0  0  0  0
   -1.2650    0.5550    2.9650 H   0  0  0  0  0
   -2.9010    2.3030    3.5370 H   0  0  0  0  0
   -4.3180    3.2890    1.7850 H   0  0  0  0  0
   -4.1080    2.5320   -0.5480 H   0  0  0  0  0
   -4.3410    1.1360   -2.0930 H   0  0  0  0  0
   -3.1110    2.3910   -2.3820 H   0  0  0  0  0
   -1.9810    0.9070   -4.0160 H   0  0  0  0  0
   -3.2100   -0.3470   -3.7270 H   0  0  0  0  0
   -3.6740    1.1970   -4.4810 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 12  2  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9  8  1  0  0  0
  9 34  1  0  0  0
 10  9  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11  6  1  0  0  0
 11 10  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 13 18  2  0  0  0
 14 15  2  0  0  0
 14 13  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 18 17  1  0  0  0
 18 42  1  0  0  0
 19 24  1  0  0  0
 19  3  1  0  0  0
 20 19  2  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 20  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
 27 51  1  0  0  0
M  END
$$$$
