A1CM9
  CCTOOLS-0821261018

 28 29  0  0  1  0  0  0  0  0999 V2000
   -4.1530    1.5290    0.8970 N   0  0  0  0  0
   -4.2500    0.5660   -0.2080 C   0  0  0  0  0
   -5.5420   -0.2010   -0.0930 C   0  0  0  0  0
   -6.1250   -0.2490    0.9640 O   0  0  0  0  0
   -3.0710   -0.4070   -0.1410 C   0  0  0  0  0
   -1.8150    0.3470   -0.1320 N   0  0  0  0  0
   -0.6030   -0.3250   -0.0750 C   0  0  0  0  0
    0.6760    0.4490   -0.0660 C   0  0  0  0  0
   -0.5850   -1.6730   -0.0220 C   0  0  0  0  0
    0.7240    1.7670   -0.1090 N   0  0  0  0  0
    1.9300   -0.3240   -0.0040 C   0  0  0  0  0
    0.6110   -2.3990    0.0370 C   0  0  0  0  0
    1.8160   -1.8020    0.0440 C   0  0  0  0  0
    3.0910    0.3150    0.0070 N   0  0  0  0  0
    3.0420   -2.6280    0.1070 N   0  3  0  0  0
    2.9570   -3.8430    0.1470 O   0  5  0  0  0
    4.1370   -2.0940    0.1190 O   0  0  0  0  0
    2.5950    2.1610   -0.0700 SE  0  0  0  0  0
   -4.1720    1.0590    1.7900 H   0  0  0  0  0
   -3.3260    2.1010    0.8080 H   0  0  0  0  0
   -4.2270    1.1000   -1.1580 H   0  0  0  0  0
   -3.1430   -1.0030    0.7690 H   0  0  0  0  0
   -3.0930   -1.0650   -1.0100 H   0  0  0  0  0
   -1.8310    1.3170   -0.1660 H   0  0  0  0  0
   -1.5220   -2.2090   -0.0250 H   0  0  0  0  0
    0.5650   -3.4770    0.0780 H   0  0  0  0  0
   -6.0450   -0.8320   -1.1660 O   0  0  0  0  0
   -6.8760   -1.3110   -1.0440 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 27  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 24  1  0  0  0
  7  6  1  0  0  0
  8 10  2  0  0  0
  8  7  1  0  0  0
  9  7  2  0  0  0
  9 25  1  0  0  0
 11  8  1  0  0  0
 12  9  1  0  0  0
 12 26  1  0  0  0
 13 11  1  0  0  0
 13 12  2  0  0  0
 14 18  1  0  0  0
 14 11  2  0  0  0
 15 16  1  0  0  0
 15 13  1  0  0  0
 17 15  2  0  0  0
 18 10  1  0  0  0
 27 28  1  0  0  0
M  CHG  1  15   1
M  CHG  1  16  -1
M  END
$$$$
