A1I80
  CCTOOLS-0206261215

 31 33  0  0  1  0  0  0  0  0999 V2000
   -2.1940   -1.2320   -0.1040 C   0  0  0  0  0
   -1.7130    1.1110    0.0940 C   0  0  0  0  0
   -2.0390    3.3390    0.1810 C   0  0  0  0  0
    4.2490    0.9360    0.5240 C   0  0  0  0  0
    3.7260   -0.2290   -0.3190 C   0  0  0  0  0
    0.1860   -0.5320    0.2470 C   0  0  0  0  0
    1.2370    0.0690   -0.3870 C   0  0  0  0  0
   -1.2520   -0.2190    0.0770 C   0  0  0  0  0
   -3.5280   -0.8950   -0.2580 C   0  0  0  0  0
   -3.0860    1.3670   -0.0700 C   0  0  0  0  0
   -1.0690    2.4130    0.2540 C   0  0  0  0  0
    3.7530    0.1600   -1.7990 C   0  0  0  0  0
    2.3510   -0.5400    0.0780 N   0  0  0  0  0
    2.0000   -1.4400    0.9280 N   0  0  0  0  0
    0.7200   -1.4690    1.0510 N   0  0  0  0  0
   -3.9320    0.3580   -0.2390 N   0  0  0  0  0
   -3.2500    2.7300   -0.0130 N   0  0  0  0  0
    5.6260    1.1650    0.2180 O   0  0  0  0  0
   -1.6990   -2.8950   -0.1430 CL  0  0  0  0  0
   -1.8860    4.4050    0.2640 H   0  0  0  0  0
    3.6730    1.8340    0.2990 H   0  0  0  0  0
    4.1460    0.6940    1.5810 H   0  0  0  0  0
    4.3570   -1.1030   -0.1610 H   0  0  0  0  0
    1.1890    0.8670   -1.1120 H   0  0  0  0  0
   -4.2560   -1.6810   -0.3980 H   0  0  0  0  0
   -0.0150    2.5950    0.4030 H   0  0  0  0  0
    4.7770    0.3910   -2.0950 H   0  0  0  0  0
    3.3810   -0.6700   -2.3990 H   0  0  0  0  0
    3.1220    1.0340   -1.9570 H   0  0  0  0  0
   -4.0980    3.1930   -0.0970 H   0  0  0  0  0
    6.0240    1.8910    0.7170 H   0  0  0  0  0
  1  9  2  0  0  0
  2 10  1  0  0  0
  3 17  1  0  0  0
  3 20  1  0  0  0
  4 18  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5 12  1  0  0  0
  5 13  1  0  0  0
  5 23  1  0  0  0
  6  8  1  0  0  0
  7  6  2  0  0  0
  7 24  1  0  0  0
  8  2  2  0  0  0
  8  1  1  0  0  0
  9 16  1  0  0  0
  9 25  1  0  0  0
 10 17  1  0  0  0
 10 16  2  0  0  0
 11  2  1  0  0  0
 11  3  2  0  0  0
 11 26  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13  7  1  0  0  0
 14 13  1  0  0  0
 14 15  2  0  0  0
 15  6  1  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 19  1  1  0  0  0
M  END
$$$$
