SMILES:n1c(cccc1C)C	

FORMULA: C7H9N
MASS: 107.1531
EXACT MASS: 107.0734993
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7463     0.0000 
   C   3    0.7463     1.3000     0.0000 
   C   4    1.4917     1.2993     1.2993     0.0000 
   C   5    1.2921     1.5008     0.7500     0.7504     0.0000 
   C   6    1.2921     0.7500     1.5008     0.7504     1.3000     0.0000 
   C   7    1.2917     1.9776     0.7432     1.9795     1.2951     2.2441 
   C   8    1.3000     0.7463     1.9842     1.9787     2.2471     1.2921 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    2.5917     0.0000 



ATOMIC CHARGES
   N   1   -0.2539595031
   C   2    0.0589688523
   C   3    0.0589688523
   C   4    0.0024180690
   C   5    0.0147258678
   C   6    0.0147258678
   C   7    0.0520759970
   C   8    0.0520759970


BOND ANGLES
   4    6    2  Car  Car  Car    119.982
   6    2    1  Car  Car  Nar    119.430
   2    6    4  Car  Car  Car    119.982
   6    4    5  Car  Car  Car    120.037


TORSION ANGLES
   6    2    1    3      0.026
   8    2    1    3    179.974
   5    3    1    2      0.026
   7    3    1    2    179.974
   6    4    5    3      0.026
   4    5    3    1      0.026
   4    5    3    7    179.974
   4    6    2    1      0.026
   4    6    2    8    179.974
   2    6    4    5      0.026