A1JAA
  CCTOOLS-0501261012

 29 30  0  0  0  0  0  0  0  0999 V2000
   -2.7320    0.8470    0.0630 C   0  0  0  0  0
    5.5980    0.9400    0.3510 C   0  0  0  0  0
    4.2890    0.2000    0.2420 C   0  0  0  0  0
    2.9630   -1.5750    0.0430 C   0  0  0  0  0
    1.9800   -0.6410    0.0920 C   0  0  0  0  0
    0.5380   -0.8980    0.0210 C   0  0  0  0  0
   -1.7170   -0.1190    0.0130 C   0  0  0  0  0
   -2.3080   -1.3360   -0.1140 C   0  0  0  0  0
   -3.9340    0.1770   -0.0360 C   0  0  0  0  0
   -5.2680    0.7860   -0.0240 C   0  0  0  0  0
    6.0670    1.3060   -0.9920 N   0  0  0  0  0
    4.1740   -1.0840    0.1270 N   0  0  0  0  0
   -0.3330    0.1280    0.0810 N   0  0  0  0  0
   -3.6560   -1.1660   -0.1450 N   0  0  0  0  0
   -6.3640    0.0100   -0.1290 N   0  0  0  0  0
    0.1280   -2.0390   -0.0930 O   0  0  0  0  0
   -5.3850    1.9930    0.0830 O   0  0  0  0  0
    2.7470    0.9370    0.2590 S   0  0  0  0  0
   -2.5990    1.9130    0.1650 H   0  0  0  0  0
    5.4560    1.8430    0.9450 H   0  0  0  0  0
    6.3370    0.3010    0.8330 H   0  0  0  0  0
    2.7640   -2.6320   -0.0550 H   0  0  0  0  0
   -1.7920   -2.2820   -0.1800 H   0  0  0  0  0
    5.3710    1.8450   -1.4840 H   0  0  0  0  0
    6.9440    1.8030   -0.9450 H   0  0  0  0  0
   -0.0070    1.0370    0.1710 H   0  0  0  0  0
   -4.3130   -1.8750   -0.2300 H   0  0  0  0  0
   -6.2710   -0.9520   -0.2140 H   0  0  0  0  0
   -7.2470    0.4130   -0.1210 H   0  0  0  0  0
  1  9  2  0  0  0
  1 19  1  0  0  0
  2 11  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  2  1  0  0  0
  3 18  1  0  0  0
  4 12  1  0  0  0
  4 22  1  0  0  0
  5  4  2  0  0  0
  6  5  1  0  0  0
  7 13  1  0  0  0
  7  1  1  0  0  0
  8  7  2  0  0  0
  8 23  1  0  0  0
  9 14  1  0  0  0
 10  9  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12  3  2  0  0  0
 13  6  1  0  0  0
 13 26  1  0  0  0
 14  8  1  0  0  0
 14 27  1  0  0  0
 15 10  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
 16  6  2  0  0  0
 17 10  2  0  0  0
 18  5  1  0  0  0
M  END
$$$$
