A1JID
  CCTOOLS-0612260951

 35 35  0  0  0  0  0  0  0  0999 V2000
    4.5770    2.0630   -0.0050 C   0  0  0  0  0
    3.9700   -1.9140    0.0190 S   0  0  0  0  0
    3.7050   -0.1720    0.0140 C   0  0  0  0  0
    4.7880    0.7000    0.0040 C   0  0  0  0  0
    3.2890    2.5740   -0.0040 C   0  0  0  0  0
    2.2030    1.7270    0.0010 C   0  0  0  0  0
    2.3980    0.3430    0.0050 C   0  0  0  0  0
    1.2410   -0.5690    0.0150 C   0  0  0  0  0
   -0.0110   -0.0700    0.0060 N   0  0  0  0  0
   -1.1610   -0.9770    0.0160 C   0  0  0  0  0
   -2.4350   -0.1720    0.0030 C   0  0  0  0  0
    1.4160   -1.7730    0.0320 O   0  0  0  0  0
   -3.6240   -0.7970    0.0090 O   0  0  0  0  0
   -4.8090    0.0420   -0.0040 C   0  0  0  0  0
   -4.8070    0.9090   -1.2650 C   0  0  0  0  0
   -6.0580   -0.8410    0.0060 C   0  0  0  0  0
   -4.8110    0.9420    1.2340 C   0  0  0  0  0
   -2.3870    1.0350   -0.0130 O   0  0  0  0  0
    5.4220    2.7360   -0.0090 H   0  0  0  0  0
    4.0240   -2.2150   -1.2910 H   0  0  0  0  0
    5.7950    0.3090    0.0030 H   0  0  0  0  0
    3.1360    3.6430   -0.0070 H   0  0  0  0  0
    1.2020    2.1320    0.0020 H   0  0  0  0  0
   -0.1500    0.8900   -0.0070 H   0  0  0  0  0
   -1.1270   -1.6170   -0.8650 H   0  0  0  0  0
   -1.1300   -1.5930    0.9150 H   0  0  0  0  0
   -4.8050    0.2670   -2.1460 H   0  0  0  0  0
   -5.6960    1.5380   -1.2750 H   0  0  0  0  0
   -3.9170    1.5380   -1.2720 H   0  0  0  0  0
   -6.0600   -1.4580    0.9040 H   0  0  0  0  0
   -6.9480   -0.2120   -0.0040 H   0  0  0  0  0
   -6.0570   -1.4820   -0.8760 H   0  0  0  0  0
   -3.9210    1.5710    1.2270 H   0  0  0  0  0
   -5.7010    1.5710    1.2230 H   0  0  0  0  0
   -4.8130    0.3250    2.1320 H   0  0  0  0  0
  1  5  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  7  2  0  0  0
  3  4  1  0  0  0
  4  1  2  0  0  0
  4 21  1  0  0  0
  5 22  1  0  0  0
  6  5  2  0  0  0
  6 23  1  0  0  0
  7  6  1  0  0  0
  8  9  1  0  0  0
  8  7  1  0  0  0
  9 24  1  0  0  0
 10  9  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 10  1  0  0  0
 11 18  2  0  0  0
 12  8  2  0  0  0
 13 11  1  0  0  0
 14 13  1  0  0  0
 14 15  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
 16 14  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 14  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
M  END
$$$$
