A1EDF
  CCTOOLS-0410261002

 33 34  0  0  0  0  0  0  0  0999 V2000
   -2.0360   -0.3540   -0.4740 C   0  0  0  0  0
   -4.3120    1.1700   -0.8640 C   0  0  0  0  0
   -2.2890    0.2120   -1.7150 C   0  0  0  0  0
   -6.0910   -0.2780    1.5000 C   0  0  0  0  0
    2.6830    0.8760    0.1360 C   0  0  0  0  0
    2.6590   -0.5120    0.0800 C   0  0  0  0  0
    1.4480   -1.1780   -0.0610 C   0  0  0  0  0
    0.2680   -0.4550   -0.1440 C   0  0  0  0  0
    0.2990    0.9320   -0.0870 C   0  0  0  0  0
    1.5050    1.5930    0.0530 C   0  0  0  0  0
   -2.9300   -0.1590    0.5700 C   0  0  0  0  0
   -4.0650    0.6020    0.3730 C   0  0  0  0  0
   -3.4290    0.9690   -1.9080 C   0  0  0  0  0
   -5.0300    0.8250    1.5090 C   0  0  0  0  0
    3.8510   -1.2370    0.1630 N   0  0  0  0  0
    3.9720    1.5870    0.2920 N   0  3  0  0  0
   -0.9190   -1.1030   -0.2820 O   0  0  0  0  0
    4.1680    2.6300   -0.3050 O   0  5  0  0  0
    4.8360    1.1300    1.0180 O   0  0  0  0  0
    1.4130   -2.9120   -0.1330 CL  0  0  0  0  0
   -5.1960    1.7710   -1.0140 H   0  0  0  0  0
   -1.5950    0.0620   -2.5290 H   0  0  0  0  0
   -6.7880   -0.1170    2.3220 H   0  0  0  0  0
   -6.6320   -0.2530    0.5540 H   0  0  0  0  0
   -5.6080   -1.2480    1.6180 H   0  0  0  0  0
   -0.6200    1.4950   -0.1520 H   0  0  0  0  0
    1.5260    2.6710    0.1020 H   0  0  0  0  0
   -2.7370   -0.6020    1.5360 H   0  0  0  0  0
   -3.6240    1.4130   -2.8730 H   0  0  0  0  0
   -5.5120    1.7950    1.3920 H   0  0  0  0  0
   -4.4880    0.8000    2.4550 H   0  0  0  0  0
    4.6990   -0.7700    0.2210 H   0  0  0  0  0
    3.8300   -2.2060    0.1640 H   0  0  0  0  0
  1 11  1  0  0  0
  1 17  1  0  0  0
  2 12  1  0  0  0
  2 21  1  0  0  0
  3  1  2  0  0  0
  3 22  1  0  0  0
  4 14  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5 10  1  0  0  0
  5 16  1  0  0  0
  6  5  2  0  0  0
  7  8  2  0  0  0
  7  6  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 11 28  1  0  0  0
 12 14  1  0  0  0
 12 11  2  0  0  0
 13  2  2  0  0  0
 13  3  1  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15  6  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 19  2  0  0  0
 16 18  1  0  0  0
 17  8  1  0  0  0
 20  7  1  0  0  0
M  CHG  1  16   1
M  CHG  1  18  -1
M  END
$$$$
