A1JNX
  CCTOOLS-0116261006

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.8100    0.0760   -0.0430 C   0  0  0  0  0
    2.4350    0.6510   -0.2660 C   0  0  0  0  0
    3.9320   -1.0430    0.3970 O   0  0  0  0  0
    0.0650    0.1930   -0.0710 C   0  0  0  0  0
   -0.9610   -0.8590    0.3550 C   0  0  0  0  0
   -2.3520   -0.3170    0.1460 C   0  0  0  0  0
   -3.3430   -0.8880   -0.5770 C   0  0  0  0  0
    1.4210   -0.3340    0.1330 N   0  0  0  0  0
   -4.4050   -0.0560   -0.4850 N   0  0  0  0  0
   -4.0680    0.9480    0.2470 N   0  0  0  0  0
   -2.8510    0.8190    0.6440 N   0  0  0  0  0
    2.3180    1.5550    0.3330 H   0  0  0  0  0
    2.3090    0.8950   -1.3210 H   0  0  0  0  0
   -0.0760    0.4340   -1.1240 H   0  0  0  0  0
   -0.0680    1.0940    0.5290 H   0  0  0  0  0
   -0.8270   -1.7590   -0.2450 H   0  0  0  0  0
   -0.8190   -1.1000    1.4080 H   0  0  0  0  0
   -3.2950   -1.8210   -1.1200 H   0  0  0  0  0
    1.5480   -1.2040   -0.3620 H   0  0  0  0  0
   -5.2710   -0.1910   -0.8990 H   0  0  0  0  0
    4.8980    0.8030   -0.3390 O   0  0  0  0  0
    5.7580    0.3920   -0.1790 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  2 12  1  0  0  0
  2 13  1  0  0  0
  3  1  2  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5 16  1  0  0  0
  5 17  1  0  0  0
  6  7  2  0  0  0
  6  5  1  0  0  0
  7 18  1  0  0  0
  8  2  1  0  0  0
  8  4  1  0  0  0
  8 19  1  0  0  0
  9  7  1  0  0  0
  9 20  1  0  0  0
 10 11  2  0  0  0
 10  9  1  0  0  0
 11  6  1  0  0  0
 21 22  1  0  0  0
M  END
$$$$
