A1DOP
  CCTOOLS-0731261037

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6660    3.4610   -0.3630 N   0  0  0  0  0
    3.1710    2.1090   -0.6560 C   0  0  0  0  0
    3.0130    1.3290    0.6510 C   0  0  0  0  0
    2.5050   -0.0570    0.3500 C   0  0  0  0  0
    3.3470   -1.0710    0.2200 C   0  0  0  0  0
    2.3320   -2.4840   -0.1220 S   0  0  0  0  0
    0.8150   -1.5740   -0.0610 C   0  0  0  0  0
   -0.4920   -1.6550   -0.1730 N   0  0  0  0  0
   -1.0290   -0.4440    0.0160 C   0  0  0  0  0
   -2.4720   -0.1270   -0.0300 C   0  0  0  0  0
   -3.4570   -1.0150   -0.2710 C   0  0  0  0  0
   -4.7290   -0.4820   -0.2630 C   0  0  0  0  0
   -4.7910    0.8300   -0.0190 C   0  0  0  0  0
   -3.1710    1.4660    0.2290 S   0  0  0  0  0
   -0.0630    0.4190    0.2510 N   0  0  0  0  0
    1.1610   -0.2950    0.2120 N   0  0  0  0  0
    4.5290    3.4250    0.1590 H   0  0  0  0  0
    3.7780    3.9970   -1.2110 H   0  0  0  0  0
    2.2050    2.1770   -1.1570 H   0  0  0  0  0
    3.8810    1.5940   -1.3030 H   0  0  0  0  0
    3.9790    1.2620    1.1520 H   0  0  0  0  0
    2.3030    1.8440    1.2980 H   0  0  0  0  0
    4.4230   -1.0430    0.3050 H   0  0  0  0  0
   -3.2650   -2.0620   -0.4550 H   0  0  0  0  0
   -5.6100   -1.0810   -0.4420 H   0  0  0  0  0
   -5.7010    1.4110    0.0250 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  4 16  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 15  2  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  2  0  0  0
 12 25  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 15 16  1  0  0  0
M  END
$$$$
