A1IL4
  CCTOOLS-0410261002

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.6510   -1.4520    0.9690 N   0  3  0  0  0
    2.6320   -0.6570    0.1950 C   0  0  0  0  0
    3.8600   -1.1970   -0.1260 C   0  0  0  0  0
    4.7780   -0.4550   -0.8490 C   0  0  0  0  0
    4.4720    0.8320   -1.2550 C   0  0  0  0  0
    3.2480    1.3850   -0.9410 C   0  0  0  0  0
    1.0000    1.2230    0.1190 C   0  0  0  0  0
   -1.1740    1.4590    0.3420 C   0  0  0  0  0
   -2.5520    1.1910    0.2950 C   0  0  0  0  0
   -2.0720   -0.9800   -0.7190 C   0  0  0  0  0
    1.9280   -2.5840    1.3220 O   0  0  0  0  0
    0.5700   -0.9710    1.2560 O   0  5  0  0  0
    2.3140    0.6400   -0.2160 C   0  0  0  0  0
    0.7910    2.4590    0.6920 C   0  0  0  0  0
   -0.5860    2.6150    0.8370 C   0  0  0  0  0
   -0.1920    0.6390   -0.0890 O   0  0  0  0  0
   -3.0070   -0.0120   -0.2280 C   0  0  0  0  0
   -1.3310   -1.7470   -1.1070 N   0  0  0  0  0
   -4.4450   -0.2920   -0.2780 C   0  0  0  0  0
   -5.2400    0.5300    0.1380 O   0  0  0  0  0
   -4.8880   -1.4610   -0.7860 O   0  0  0  0  0
    4.1060   -2.2000    0.1880 H   0  0  0  0  0
    5.7380   -0.8830   -1.0970 H   0  0  0  0  0
    5.1930    1.4050   -1.8180 H   0  0  0  0  0
    3.0110    2.3900   -1.2580 H   0  0  0  0  0
   -3.2570    1.9210    0.6640 H   0  0  0  0  0
    1.5510    3.1720    0.9760 H   0  0  0  0  0
   -1.0980    3.4690    1.2560 H   0  0  0  0  0
   -5.8450   -1.6000   -0.7980 H   0  0  0  0  0
  1 11  2  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4 23  1  0  0  0
  5  4  1  0  0  0
  5 24  1  0  0  0
  6  5  2  0  0  0
  6 25  1  0  0  0
  7 13  1  0  0  0
  8 15  2  0  0  0
  8 16  1  0  0  0
  9  8  1  0  0  0
  9 26  1  0  0  0
 10 17  1  0  0  0
 12  1  1  0  0  0
 13  2  2  0  0  0
 13  6  1  0  0  0
 14  7  2  0  0  0
 14 27  1  0  0  0
 15 14  1  0  0  0
 15 28  1  0  0  0
 16  7  1  0  0  0
 17  9  2  0  0  0
 18 10  3  0  0  0
 19 21  1  0  0  0
 19 17  1  0  0  0
 20 19  2  0  0  0
 21 29  1  0  0  0
M  CHG  1   1   1
M  CHG  1  12  -1
M  END
$$$$
