SMILES:c1cccc(c1OC)C(CN)O	

FORMULA: C9H13NO2
MASS: 167.2050
EXACT MASS: 167.0946287
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    1.0392     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0392     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   C   7    1.5854     1.7979     1.5855     1.0375     0.5979     1.0374 
   C   8    2.0748     2.1598     1.7968     1.1969     1.0356     1.5839 
   N   9    2.6098     2.7440     2.3948     1.7948     1.5819     2.0730 
   O  10    1.7969     2.1599     2.0749     1.5839     1.0356     1.1969 
   O  11    1.0362     1.5841     1.7964     1.5840     1.0361     0.5964 
   C  12    1.1972     1.5844     1.5844     1.1974     0.5974     0.5972 

              C   7      C   8      N   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5979     0.0000 
   N   9    1.0356     0.5979     0.0000 
   O  10    0.5979     1.0356     1.1958     0.0000 
   O  11    1.1970     1.7950     2.1573     1.0373     0.0000 
   C  12    0.5991     1.1970     1.5835     0.5997     0.5979     0.0000 




ATOMIC CHARGES
   C   1    0.0366531729
   C   2    0.0030937567
   C   3   -0.0000440661
   C   4    0.0012240307
   C   5    0.0431695599
   C   6    0.1371023620
   C   7    0.1960726819
   C   8    0.1467303737
   N   9   -0.1282172671
   O  10   -0.2165716140
   O  11   -0.4716657469
   C  12    0.2524527564


BOND ANGLES
   7    5    6   C3  Car  Car    119.995
   5    6    1  Car  Car  Car    119.999
   5    6   11  Car  Car   O3    119.991
  11    6    1   O3  Car  Car    120.010
   6    1    2  Car  Car  Car    120.001
   6    5    7  Car  Car   C3    119.995
   5    7    8  Car   C3   C3    119.992
   5    7   10  Car   C3   O3    120.004
  10    7    8   O3   C3   C3    120.004
   7    8    9   C3   C3   N3    119.992
   8    7   10   C3   C3   O3    120.004
   1    6   11  Car  Car   O3    120.010
   6   11   12  Car   O3   C3     60.006


TORSION ANGLES
   2    3    4    5      0.026
   3    4    5    6      0.026
   3    4    5    7    179.974
   4    5    6    1      0.026
   4    5    6   11    179.974
   7    5    6    1    179.974
   7    5    6   11      0.026
   5    6    1    2      0.026
  11    6    1    2    179.974
   4    5    7    8      0.026
   4    5    7   10    179.974
   6    5    7    8    179.974
   6    5    7   10      0.026
   5    7    8    9    179.974
  10    7    8    9      0.026
   5    6   11   12      0.026
   1    6   11   12    179.974
   6    1    2    3      0.026
   1    2    3    4      0.026


CHIRAL ATOMS
   C     7 is chiral: counterclockwise