A1CM8
  CCTOOLS-0828261229

 28 29  0  0  1  0  0  0  0  0999 V2000
   -3.8460    1.4220    0.8540 N   0  0  0  0  0
   -3.7750    0.4250   -0.2220 C   0  0  0  0  0
   -4.9110   -0.5540   -0.0750 C   0  0  0  0  0
   -5.4730   -0.6730    0.9880 O   0  0  0  0  0
   -2.4430   -0.3230   -0.1370 C   0  0  0  0  0
   -1.3400    0.6410   -0.1600 N   0  0  0  0  0
   -0.0240    0.1930   -0.0940 C   0  0  0  0  0
    0.2550   -1.1410   -0.0070 C   0  0  0  0  0
    1.0850    1.1390   -0.1220 C   0  0  0  0  0
    1.2770    2.4290   -0.1970 N   0  0  0  0  0
    1.5670   -1.6140    0.0610 C   0  0  0  0  0
    2.4680    0.6010   -0.0480 C   0  0  0  0  0
    2.6450   -0.7910    0.0450 C   0  0  0  0  0
    3.2010    1.6870   -0.0950 N   0  0  0  0  0
    2.4710    2.6550   -0.1770 O   0  0  0  0  0
    4.0100   -1.3590    0.1210 N   0  3  0  0  0
    4.1640   -2.5650    0.2010 O   0  5  0  0  0
    4.9790   -0.6210    0.1020 O   0  0  0  0  0
   -3.7790    0.9820    1.7600 H   0  0  0  0  0
   -3.1340    2.1280    0.7410 H   0  0  0  0  0
   -3.8500    0.9260   -1.1870 H   0  0  0  0  0
   -2.4060   -0.8960    0.7890 H   0  0  0  0  0
   -2.3520   -1.0000   -0.9870 H   0  0  0  0  0
   -0.5610   -1.8480    0.0100 H   0  0  0  0  0
    1.7300   -2.6790    0.1300 H   0  0  0  0  0
   -5.2990   -1.2960   -1.1250 O   0  0  0  0  0
   -6.0320   -1.9100   -0.9820 H   0  0  0  0  0
   -1.5270    1.5900   -0.2220 H   0  0  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2  1  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  5  2  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  5  1  0  0  0
  6 28  1  0  0  0
  7  6  1  0  0  0
  8  7  2  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9  7  1  0  0  0
 11  8  1  0  0  0
 11 25  1  0  0  0
 12  9  1  0  0  0
 13 12  1  0  0  0
 13 11  2  0  0  0
 14 12  2  0  0  0
 14 15  1  0  0  0
 15 10  1  0  0  0
 16 13  1  0  0  0
 17 16  1  0  0  0
 18 16  2  0  0  0
 26 27  1  0  0  0
M  CHG  1  16   1
M  CHG  1  17  -1
M  END
$$$$
