s1012.mol
  corina  12080917183D 1   1.00000     0.00000 
CORINA 3.46 0026  05.08.2008
 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.0129    1.3565    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011    0.0017    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.7252   -0.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3544   -0.1456   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433    1.3282   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1823    2.0807    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3193   -0.7287    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634   -0.8256   -0.0409 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6115    1.9458   -0.0205 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0487   -2.1874   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778    3.4297    0.0183 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6418    1.3010    0.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0019   -2.6847   -1.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9093   -4.1888   -1.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3280   -4.8052   -1.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616   -4.9520   -1.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767   -6.3317   -1.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7395   -6.9482   -1.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4129   -6.1849   -1.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  2  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
$$$$