AAS
  CCTOOLS-0807261402

 26 26  0  0  0  0  0  0  0  0999 V2000
   -0.5960    0.7710   -0.7560 C   0  0  0  0  0
   -0.1750    0.0410    0.3450 C   0  0  0  0  0
    1.1620   -0.0250    0.6860 C   0  5  0  0  0
    2.1080    0.6590   -0.0620 C   0  0  0  0  0
    1.6740    1.4020   -1.1850 C   0  0  0  0  0
    0.3410    1.4540   -1.5210 C   0  0  0  0  0
    1.1860   -3.9980    2.9980 C   0  0  0  0  0
   -0.1190   -4.2360    3.7060 C   0  0  0  0  0
    1.6410   -1.4840    2.0840 HG  0  0  0  0  0
   -2.3100    0.8160   -1.1620 S   0  0  0  0  0
   -2.5170    1.5590   -2.3680 O   0  0  0  0  0
   -2.9880    1.2220    0.0320 O   0  0  0  0  0
    1.9270   -3.0720    3.4030 O   0  5  0  0  0
    1.4670   -4.7390    2.0290 O   0  0  0  0  0
   -2.7550   -0.6900   -1.4610 N   0  0  0  0  0
    3.3950    0.6120    0.2560 N   0  0  0  0  0
   -0.8230   -0.4200    0.8500 H   0  0  0  0  0
    2.3130    1.8640   -1.6980 H   0  0  0  0  0
    0.0540    1.9540   -2.2710 H   0  0  0  0  0
   -0.1800   -3.6600    4.4830 H   0  0  0  0  0
   -0.1710   -5.1620    3.9880 H   0  0  0  0  0
   -0.8550   -4.0430    3.1060 H   0  0  0  0  0
   -3.5790   -0.7640   -1.6980 H   0  0  0  0  0
   -2.1820   -1.1320   -1.9270 H   0  0  0  0  0
    3.6620    0.1430    0.9500 H   0  0  0  0  0
    3.9970    1.0440   -0.2180 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  5 18  1  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  7 13  1  0  0  0
  7 14  2  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 12  2  0  0  0
 10 15  1  0  0  0
 15 23  1  0  0  0
 15 24  1  0  0  0
 16 25  1  0  0  0
 16 26  1  0  0  0
M  CHG  1   3  -1
M  CHG  1  13  -1
M  END
$$$$
