A1DOA
  CCTOOLS-0807261402

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.0500   -0.0540   -0.0650 N   0  0  0  0  0
    2.6610   -0.0170   -0.0240 C   0  0  0  0  0
    2.0050    1.2090   -0.0060 C   0  0  0  0  0
    0.6230    1.2320    0.0340 C   0  0  0  0  0
   -0.0600    0.0230    0.0540 C   0  0  0  0  0
   -1.8210   -0.0050    0.1040 S   0  0  0  0  0
   -2.3550   -0.0130   -1.4640 N   0  0  0  0  0
   -2.1870   -1.2600    0.6590 O   0  0  0  0  0
   -2.2260    1.2390    0.6590 O   0  0  0  0  0
    0.6560   -1.1580    0.0340 C   0  0  0  0  0
    1.9750   -1.1490   -0.0090 N   0  0  0  0  0
    4.5580    0.7720   -0.0800 H   0  0  0  0  0
    4.5120   -0.9070   -0.0740 H   0  0  0  0  0
    2.5670    2.1310   -0.0220 H   0  0  0  0  0
    0.0860    2.1690    0.0490 H   0  0  0  0  0
   -3.1940   -0.4470   -1.6880 H   0  0  0  0  0
   -1.8300    0.4150   -2.1580 H   0  0  0  0  0
    0.1290   -2.1010    0.0490 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4 15  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6  8  2  0  0  0
  6  9  2  0  0  0
  7 16  1  0  0  0
  7 17  1  0  0  0
 10 11  2  0  0  0
 10 18  1  0  0  0
M  END
$$$$
