TGA
  CCTOOLS-1205251005

 31 31  0  0  1  0  0  0  0  0999 V2000
   -0.8500    2.8190    0.4180 O   0  0  0  0  0
   -1.1380    1.5080   -0.0710 C   0  0  0  0  0
   -2.4670    1.0230    0.5160 C   0  0  0  0  0
   -3.5260    1.8710    0.0670 O   0  0  0  0  0
   -2.7270   -0.4120    0.0470 C   0  0  0  0  0
   -2.8590   -0.4330   -1.3760 O   0  0  0  0  0
   -1.5500   -1.2980    0.4640 C   0  0  0  0  0
   -1.7730   -2.7200   -0.0530 C   0  0  0  0  0
   -0.7350   -3.5730    0.4340 O   0  0  0  0  0
   -0.3410   -0.7740   -0.0900 O   0  0  0  0  0
   -0.0220    0.5480    0.3510 C   0  0  0  0  0
    1.2110    0.9620   -0.2390 O   0  0  0  0  0
    2.3430    0.1980    0.1820 C   0  0  0  0  0
    3.6010    0.7270   -0.5090 C   0  0  0  0  0
    5.0380   -0.2440    0.0250 S   0  0  0  0  0
    6.0540    0.3220   -0.6500 H   0  0  0  0  0
   -0.0210    3.1890    0.0860 H   0  0  0  0  0
   -1.2070    1.5320   -1.1590 H   0  0  0  0  0
   -2.4160    1.0480    1.6040 H   0  0  0  0  0
    0.0730    0.5560    1.4370 H   0  0  0  0  0
   -3.4230    2.7980    0.3230 H   0  0  0  0  0
   -3.6440   -0.7850    0.5030 H   0  0  0  0  0
   -3.5840    0.1120   -1.7120 H   0  0  0  0  0
   -1.4740   -1.3140    1.5510 H   0  0  0  0  0
   -2.7380   -3.0870    0.2970 H   0  0  0  0  0
   -1.7590   -2.7170   -1.1430 H   0  0  0  0  0
   -0.8120   -4.4920    0.1450 H   0  0  0  0  0
    2.4580    0.2840    1.2620 H   0  0  0  0  0
    2.1940   -0.8480   -0.0850 H   0  0  0  0  0
    3.4860    0.6400   -1.5900 H   0  0  0  0  0
    3.7500    1.7730   -0.2420 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 19  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
M  END
$$$$
