m111.mol
  corina  12080917183D 1   1.00000     0.00000 
CORINA 3.46 0026  05.08.2008
 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.0470    1.3740   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -0.0197   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147   -0.6715   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021    0.0700   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3484    1.4686   -0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1304    2.1104   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999   -0.6174   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1346   -1.0914    0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -0.7337   -1.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2449    2.0125   -0.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2187    3.4407   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1572   -0.7365    0.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0367   -2.1600    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6007    2.2569   -0.1354 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5565    3.4730   -0.0837 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6753    1.6895   -0.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
$$$$