s1067.mol
  corina  12080917213D 1   1.00000     0.00000 
CORINA 3.46 0026  05.08.2008
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0167    1.3792    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060   -0.6854   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    0.0117   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3846    1.4070   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669    2.0882    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    2.1367   -0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2714   -0.7583    0.0102 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3328   -0.1611    0.0236 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2579   -1.9762    0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6268    2.7350   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8933    3.4851   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5971    4.9861   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9136    5.7658   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6174    7.2668   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9338    8.0465   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6376    9.5475   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
$$$$