A1JAB
  CCTOOLS-0410261002

 28 28  0  0  0  0  0  0  0  0999 V2000
    3.6360    1.2100   -0.0040 C   0  0  0  0  0
    1.2080    0.6200    0.0000 C   0  0  0  0  0
   -1.1190   -0.2160    0.0050 C   0  0  0  0  0
   -1.5630    1.1020    0.0030 C   0  0  0  0  0
   -3.7970    0.2750   -0.0040 C   0  0  0  0  0
   -1.9840   -1.2190    0.0020 N   0  0  0  0  0
    2.8370   -0.8040   -1.2490 C   0  0  0  0  0
   -3.2870   -1.0080   -0.0020 C   0  0  0  0  0
    2.6300    0.0570   -0.0010 C   0  0  0  0  0
    2.8410   -0.8000    1.2490 C   0  0  0  0  0
   -2.9230    1.3540   -0.0010 C   0  0  0  0  0
    0.2450   -0.4840    0.0030 N   0  0  0  0  0
    3.4860    1.8200   -0.8950 H   0  0  0  0  0
    3.4890    1.8230    0.8850 H   0  0  0  0  0
    4.6490    0.8080   -0.0050 H   0  0  0  0  0
    1.0610    1.2330    0.8890 H   0  0  0  0  0
    1.0580    1.2300   -0.8910 H   0  0  0  0  0
   -0.8550    1.9180    0.0060 H   0  0  0  0  0
   -4.8650    0.4370   -0.0080 H   0  0  0  0  0
    2.1210   -1.6250   -1.2470 H   0  0  0  0  0
    2.6870   -0.1940   -2.1400 H   0  0  0  0  0
    3.8500   -1.2050   -1.2500 H   0  0  0  0  0
   -3.9630   -1.8510   -0.0040 H   0  0  0  0  0
    3.8540   -1.2010    1.2480 H   0  0  0  0  0
    2.6930   -0.1870    2.1380 H   0  0  0  0  0
    2.1240   -1.6210    1.2520 H   0  0  0  0  0
   -3.2970    2.3670   -0.0020 H   0  0  0  0  0
    0.5590   -1.4010    0.0040 H   0  0  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2 12  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3  6  1  0  0  0
  4 11  1  0  0  0
  4 18  1  0  0  0
  5  8  1  0  0  0
  5 19  1  0  0  0
  7  9  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  6  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
  9  1  1  0  0  0
  9  2  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11  5  2  0  0  0
 11 27  1  0  0  0
 12  3  1  0  0  0
 12 28  1  0  0  0
M  END
$$$$
