LME
  CCTOOLS-1004241128

 22 21  0  0  1  0  0  0  0  0999 V2000
    1.2000    1.8880   -0.1040 N   0  0  0  0  0
    1.1430    0.5790    0.5600 C   0  0  0  0  0
   -0.1080   -0.1720    0.0990 C   0  0  0  0  0
   -0.0540   -0.3700   -1.4170 C   0  0  0  0  0
   -1.3530    0.6400    0.4630 C   0  0  0  0  0
   -2.5880   -0.1540    0.1200 C   0  0  0  0  0
   -2.4830   -1.2550   -0.3650 O   0  0  0  0  0
   -3.8040    0.3630    0.3540 O   0  0  0  0  0
    2.3690   -0.2200    0.2020 C   0  0  0  0  0
    3.0130    0.0690   -0.7790 O   0  0  0  0  0
    1.2370    1.7840   -1.1070 H   0  0  0  0  0
    0.4210    2.4680    0.1710 H   0  0  0  0  0
    1.1040    0.7210    1.6400 H   0  0  0  0  0
   -0.1510   -1.1430    0.5920 H   0  0  0  0  0
   -0.0110    0.6010   -1.9100 H   0  0  0  0  0
    0.8330   -0.9490   -1.6760 H   0  0  0  0  0
   -0.9450   -0.9050   -1.7450 H   0  0  0  0  0
   -1.3460    0.8580    1.5310 H   0  0  0  0  0
   -1.3550    1.5740   -0.0980 H   0  0  0  0  0
   -4.5660   -0.1830    0.1180 H   0  0  0  0  0
    2.7460   -1.2520    0.9720 O   0  0  0  0  0
    3.5390   -1.7350    0.7020 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 14  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
  9 21  1  0  0  0
 21 22  1  0  0  0
M  END
$$$$