A1DNT
  CCTOOLS-0731261037

 29 31  0  0  1  0  0  0  0  0999 V2000
   -1.6530   -2.2530   -0.2590 C   0  0  0  0  0
   -2.8530   -1.7340   -0.1020 N   0  0  0  0  0
   -3.0220   -0.4220   -0.0010 C   0  0  0  0  0
   -1.9160    0.4020   -0.0640 C   0  0  0  0  0
   -0.6600   -0.1790   -0.2300 C   0  0  0  0  0
    0.4520    0.5910   -0.2960 O   0  0  0  0  0
    1.7000   -0.0830   -0.4680 C   0  0  0  0  0
    2.6510    0.8270   -1.2350 C   0  0  0  0  0
    3.9380    1.1390   -0.4450 C   0  0  0  0  0
    4.0650   -0.2970    0.6980 S   0  0  0  0  0
    2.2480   -0.4790    0.9180 C   0  0  0  0  0
   -0.5720   -1.5020   -0.3230 N   0  0  0  0  0
   -2.3410    1.8450    0.0720 C   0  0  0  0  0
   -3.7690    1.7910    0.6560 C   0  0  0  0  0
   -4.2700    0.4100    0.1810 C   0  0  0  0  0
   -1.5500   -3.3260   -0.3330 H   0  0  0  0  0
    1.5330   -0.9890   -1.0510 H   0  0  0  0  0
    2.9210    0.3430   -2.1740 H   0  0  0  0  0
    2.1390    1.7630   -1.4590 H   0  0  0  0  0
    4.8000    1.1800   -1.1110 H   0  0  0  0  0
    3.8340    2.0690    0.1130 H   0  0  0  0  0
    1.8810    0.2000    1.6880 H   0  0  0  0  0
    1.9890   -1.5110    1.1560 H   0  0  0  0  0
   -1.6730    2.3730    0.7530 H   0  0  0  0  0
   -2.3490    2.3300   -0.9040 H   0  0  0  0  0
   -3.7450    1.8410    1.7450 H   0  0  0  0  0
   -4.3860    2.5900    0.2450 H   0  0  0  0  0
   -4.8020    0.5070   -0.7660 H   0  0  0  0  0
   -4.9170   -0.0380    0.9350 H   0  0  0  0  0
  1  2  2  0  0  0
  1 12  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5 12  2  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  7 17  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
M  END
$$$$
