A1D8S
  CCTOOLS-0613250944

 27 27  0  0  1  0  0  0  0  0999 V2000
    3.3120    0.3280    0.2340 C   0  0  0  0  0
    3.4290   -0.1830    1.3220 O   0  0  0  0  0
    2.1500   -0.0430   -0.6520 C   0  0  0  0  0
    1.5260   -1.2830   -0.1780 N   0  0  0  0  0
    0.1850   -1.1880   -0.1850 C   0  0  0  0  0
   -0.2370    0.1790   -0.6750 C   0  0  0  0  0
    1.0460    1.0340   -0.5660 C   0  0  0  0  0
   -1.3400    0.7520    0.2180 C   0  0  0  0  0
   -2.6070   -0.0930    0.0690 C   0  0  0  0  0
   -3.6520    0.3950    1.0380 C   0  0  0  0  0
   -3.1170    0.0280   -1.3040 N   0  0  0  0  0
   -0.5760   -2.0710    0.1510 O   0  0  0  0  0
   -4.7760    0.8260    0.6040 N   0  0  0  0  0
    2.4850   -0.1580   -1.6830 H   0  0  0  0  0
    2.0170   -2.0700    0.1050 H   0  0  0  0  0
   -0.5730    0.1270   -1.7110 H   0  0  0  0  0
    1.0860    1.5580    0.3890 H   0  0  0  0  0
    1.1200    1.7360   -1.3970 H   0  0  0  0  0
   -1.0110    0.7330    1.2570 H   0  0  0  0  0
   -1.5510    1.7790   -0.0780 H   0  0  0  0  0
   -2.3750   -1.1370    0.2790 H   0  0  0  0  0
   -3.4530    0.3810    2.0990 H   0  0  0  0  0
   -3.9170   -0.5700   -1.4460 H   0  0  0  0  0
   -5.4490    1.1400    1.2280 H   0  0  0  0  0
   -3.3390    0.9880   -1.5230 H   0  0  0  0  0
    4.2130    1.2310   -0.1840 O   0  0  0  0  0
    4.9380    1.4400    0.4210 H   0  0  0  0  0
  1  2  2  0  0  0
  1 26  1  0  0  0
  3  7  1  0  0  0
  3  1  1  0  0  0
  3 14  1  0  0  0
  4  3  1  0  0  0
  4 15  1  0  0  0
  5  4  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 16  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  8  6  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 11  1  0  0  0
  9 21  1  0  0  0
 10 13  2  0  0  0
 10  9  1  0  0  0
 10 22  1  0  0  0
 11 23  1  0  0  0
 11 25  1  0  0  0
 12  5  2  0  0  0
 13 24  1  0  0  0
 26 27  1  0  0  0
M  END
$$$$
