A1CQB
  CCTOOLS-0515260948

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.6500   -0.9490   -0.1880 C   0  0  0  0  0
    2.8540    1.6970    0.1660 C   0  0  0  0  0
   -1.3640   -0.9870    0.0450 C   0  0  0  0  0
   -3.7370   -0.4610    0.2190 C   0  0  0  0  0
   -4.6190    0.7750    0.4080 C   0  0  0  0  0
    0.0500   -0.5820    0.0270 C   0  0  0  0  0
    1.1070   -1.4220   -0.1230 C   0  0  0  0  0
    2.2870   -0.6400   -0.0860 C   0  0  0  0  0
    4.5790    0.0470   -0.1130 C   0  0  0  0  0
    4.1880    1.3680    0.0640 C   0  0  0  0  0
    1.8870    0.6990    0.0930 C   0  0  0  0  0
   -2.3290   -0.0580    0.2010 N   0  0  0  0  0
    0.5140    0.7120    0.1590 N   0  0  0  0  0
   -1.6630   -2.1590   -0.0810 O   0  0  0  0  0
   -4.4850    1.6330   -0.7270 O   0  0  0  0  0
    3.9640   -1.9740   -0.3200 H   0  0  0  0  0
    2.5600    2.7270    0.3040 H   0  0  0  0  0
   -3.9050   -1.1570    1.0420 H   0  0  0  0  0
   -3.9880   -0.9460   -0.7240 H   0  0  0  0  0
   -5.6590    0.4670    0.5110 H   0  0  0  0  0
   -4.3080    1.3090    1.3060 H   0  0  0  0  0
    1.0570   -2.4930   -0.2490 H   0  0  0  0  0
    5.6290   -0.1940   -0.1920 H   0  0  0  0  0
    4.9360    2.1450    0.1200 H   0  0  0  0  0
   -2.0900    0.8770    0.3010 H   0  0  0  0  0
   -0.0380    1.5000    0.2800 H   0  0  0  0  0
   -5.0180    2.4380   -0.6760 H   0  0  0  0  0
  1  8  2  0  0  0
  1  9  1  0  0  0
  1 16  1  0  0  0
  2 17  1  0  0  0
  3  6  1  0  0  0
  3 14  2  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 13  1  0  0  0
  7  6  2  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10  2  1  0  0  0
 10 24  1  0  0  0
 11  2  2  0  0  0
 12  3  1  0  0  0
 12 25  1  0  0  0
 13 11  1  0  0  0
 13 26  1  0  0  0
 15  5  1  0  0  0
 15 27  1  0  0  0
M  END
$$$$
