A1EVN
  CCTOOLS-0522260957

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.5580    1.6780    1.0400 C   0  0  0  0  0
   -1.7060    0.6450   -0.1900 C   0  0  0  0  0
    6.2180   -0.1210   -1.1010 C   0  0  0  0  0
    7.2760   -1.6610    0.9360 C   0  0  0  0  0
   -3.0920   -1.4130    0.0300 C   0  0  0  0  0
    7.6320   -1.9120   -0.3760 C   0  0  0  0  0
   -5.4200    0.1000   -0.0340 C   0  0  0  0  0
   -5.4830   -1.2770    0.0940 C   0  0  0  0  0
   -4.1160    2.4590   -0.2780 CL  0  0  0  0  0
   -7.0260   -2.0630    0.2220 CL  0  0  0  0  0
   -1.6460    1.8540   -0.2970 O   0  0  0  0  0
    3.5120    0.6980    0.5060 N   0  0  0  0  0
   -0.5740   -0.0860   -0.1580 N   0  0  0  0  0
    0.7290    0.5770   -0.2540 C   0  0  0  0  0
    1.7640   -0.4060   -0.8080 C   0  0  0  0  0
    1.1700    1.0410    1.1370 C   0  0  0  0  0
    3.1350    0.2730   -0.8480 C   0  0  0  0  0
    4.8810    1.2290    0.5290 C   0  0  0  0  0
    5.8550    0.1230    0.2100 C   0  0  0  0  0
    6.3830   -0.6470    1.2290 C   0  0  0  0  0
   -3.0200   -0.0240   -0.0930 C   0  0  0  0  0
    7.1070   -1.1380   -1.3940 C   0  0  0  0  0
   -4.1950    0.7320   -0.1250 C   0  0  0  0  0
   -4.3210   -2.0310    0.1200 C   0  0  0  0  0
    2.8810    1.9970    2.0310 H   0  0  0  0  0
    2.5160    2.5420    0.3770 H   0  0  0  0  0
    5.8050    0.4810   -1.8970 H   0  0  0  0  0
    7.6890   -2.2630    1.7320 H   0  0  0  0  0
   -2.1870   -2.0020    0.0510 H   0  0  0  0  0
    8.3260   -2.7070   -0.6050 H   0  0  0  0  0
   -6.3290    0.6820   -0.0540 H   0  0  0  0  0
   -0.6220   -1.0510   -0.0730 H   0  0  0  0  0
    0.6520    1.4370   -0.9190 H   0  0  0  0  0
    1.8120   -1.2850   -0.1640 H   0  0  0  0  0
    1.4770   -0.7080   -1.8150 H   0  0  0  0  0
    1.2090    0.1850    1.8110 H   0  0  0  0  0
    0.4590    1.7740    1.5180 H   0  0  0  0  0
    3.0900    1.1430   -1.5020 H   0  0  0  0  0
    3.8770   -0.4290   -1.2280 H   0  0  0  0  0
    4.9760    2.0220   -0.2130 H   0  0  0  0  0
    5.0990    1.6300    1.5190 H   0  0  0  0  0
    6.0990   -0.4570    2.2530 H   0  0  0  0  0
    7.3840   -1.3340   -2.4190 H   0  0  0  0  0
   -4.3780   -3.1050    0.2110 H   0  0  0  0  0
  1 16  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 11  2  0  0  0
  2 21  1  0  0  0
  3 19  2  0  0  0
  3 27  1  0  0  0
  4 20  2  0  0  0
  4 28  1  0  0  0
  5 24  1  0  0  0
  5 29  1  0  0  0
  6 22  2  0  0  0
  6  4  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  9 23  1  0  0  0
 12  1  1  0  0  0
 13  2  1  0  0  0
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 22 43  1  0  0  0
 23  7  2  0  0  0
 24  8  2  0  0  0
 24 44  1  0  0  0
M  END
$$$$
