A1B9V
  CCTOOLS-0424261114

 29 30  0  0  1  0  0  0  0  0999 V2000
    2.7070    1.2770    1.4530 N   0  0  0  0  0
    2.4090    0.1880    0.5130 C   0  0  0  0  0
    3.4720    0.1410   -0.5540 C   0  0  0  0  0
    4.1630    1.1100   -0.7620 O   0  0  0  0  0
    1.0450    0.4330   -0.1350 C   0  0  0  0  0
   -0.0480    0.3570    0.9330 C   0  0  0  0  0
   -0.0960   -1.0710    1.5110 C   0  0  0  0  0
   -1.3760    0.7200    0.3130 C   0  0  0  0  0
   -2.1850   -0.3460   -0.0270 C   0  0  0  0  0
   -1.8520    2.0100    0.0570 C   0  0  0  0  0
   -3.4210   -0.1500   -0.6110 C   0  0  0  0  0
   -3.0850    2.2080   -0.5220 C   0  0  0  0  0
   -3.8790    1.1290   -0.8620 C   0  0  0  0  0
   -0.7380   -2.2500   -0.7940 O   0  0  0  0  0
   -1.3510   -1.8460    0.4230 S   0  0  0  0  0
    2.7300    2.1670    0.9800 H   0  0  0  0  0
    2.0450    1.2890    2.2150 H   0  0  0  0  0
    2.3910   -0.7610    1.0500 H   0  0  0  0  0
    1.0340    1.4210   -0.5960 H   0  0  0  0  0
    0.8630   -0.3250   -0.8960 H   0  0  0  0  0
    0.1810    1.0610    1.7330 H   0  0  0  0  0
    0.8690   -1.5670    1.4130 H   0  0  0  0  0
   -0.4280   -1.0630    2.5500 H   0  0  0  0  0
   -1.2430    2.8630    0.3170 H   0  0  0  0  0
   -4.0330   -1.0010   -0.8730 H   0  0  0  0  0
   -3.4330    3.2130   -0.7110 H   0  0  0  0  0
   -4.8450    1.2840   -1.3190 H   0  0  0  0  0
    3.6500   -0.9780   -1.2740 O   0  0  0  0  0
    4.3440   -0.9600   -1.9480 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2 18  1  0  0  0
  3  4  2  0  0  0
  3 28  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7 15  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  9  2  0  0  0
  9 11  1  0  0  0
  9 15  1  0  0  0
 10 12  2  0  0  0
 10  8  1  0  0  0
 10 24  1  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 11  2  0  0  0
 13 27  1  0  0  0
 15 14  2  0  0  0
 28 29  1  0  0  0
M  END
$$$$
