A1DAN
  CCTOOLS-0403261050

 29 30  0  0  0  0  0  0  0  0999 V2000
    4.1290    2.7140    0.3320 C   0  0  0  0  0
    2.9410    0.7400   -0.2500 C   0  0  0  0  0
    3.4430   -0.2550   -2.2530 C   0  0  0  0  0
    2.5040   -1.2360   -2.0080 C   0  0  0  0  0
    1.9880   -0.2540   -0.0010 C   0  0  0  0  0
   -1.1880   -1.0250    0.1670 C   0  0  0  0  0
   -1.8670    0.1800    0.1430 C   0  0  0  0  0
   -2.8220    0.4170   -0.8320 C   0  0  0  0  0
   -3.0940   -0.5510   -1.7810 C   0  0  0  0  0
   -2.4140   -1.7550   -1.7560 C   0  0  0  0  0
   -1.4580   -1.9890   -0.7860 C   0  0  0  0  0
    3.6430    0.7120   -1.3710 N   0  0  0  0  0
    1.7960   -1.2170   -0.8900 N   0  0  0  0  0
    1.2460   -0.2310    1.1760 N   0  0  0  0  0
    3.1410    1.7340    0.6530 O   0  0  0  0  0
   -0.5790   -0.9980    2.6500 O   0  0  0  0  0
    0.5770   -2.6060    1.1260 O   0  0  0  0  0
    0.0260   -1.3270    1.4070 S   0  0  0  0  0
   -3.6760    1.9280   -0.8630 CL  0  0  0  0  0
   -1.5250    1.3940    1.3360 CL  0  0  0  0  0
    4.1880    3.4490    1.1350 H   0  0  0  0  0
    5.0980    2.2280    0.2130 H   0  0  0  0  0
    3.8570    3.2140   -0.5980 H   0  0  0  0  0
    4.0170   -0.2770   -3.1670 H   0  0  0  0  0
    2.3460   -2.0220   -2.7320 H   0  0  0  0  0
   -3.8380   -0.3680   -2.5420 H   0  0  0  0  0
   -2.6270   -2.5110   -2.4980 H   0  0  0  0  0
   -0.9270   -2.9290   -0.7680 H   0  0  0  0  0
    1.4440    0.4260    1.8620 H   0  0  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  5  2  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4 25  1  0  0  0
  5 13  1  0  0  0
  6 18  1  0  0  0
  7 20  1  0  0  0
  7  6  2  0  0  0
  8  7  1  0  0  0
  9  8  2  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11  6  1  0  0  0
 11 28  1  0  0  0
 12  3  2  0  0  0
 13  4  2  0  0  0
 14  5  1  0  0  0
 14 29  1  0  0  0
 15  1  1  0  0  0
 15  2  1  0  0  0
 18 16  2  0  0  0
 18 17  2  0  0  0
 18 14  1  0  0  0
 19  8  1  0  0  0
M  END
$$$$
