SMILES:n1ccc(c2cccc(c12)O)C	

FORMULA: C10H9NO
MASS: 159.1846
EXACT MASS: 159.0684139
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7175     0.0000 
   C   3    1.2427     0.7175     0.0000 
   C   4    1.4350     1.2428     0.7175     0.0000 
   C   5    1.2427     1.4350     1.2427     0.7175     0.0000 
   C   6    1.8983     2.1525     1.8983     1.2427     0.7175     0.0000 
   C   7    2.1525     2.5870     2.4855     1.8983     1.2428     0.7175 
   C   8    1.8983     2.4855     2.5870     2.1525     1.4350     1.2428 
   C   9    1.2427     1.8983     2.1525     1.8983     1.2427     1.4350 
   C  10    0.7174     1.2427     1.4350     1.2428     0.7175     1.2428 
   C  11    2.1525     1.8984     1.2428     0.7175     1.2428     1.4350 
   O  12    1.4350     2.1525     2.5869     2.4855     1.8983     2.1525 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7175     0.0000 
   C   9    1.2427     0.7175     0.0000 
   C  10    1.4350     1.2428     0.7175     0.0000 
   C  11    2.1525     2.5870     2.4855     1.8983     0.0000 
   O  12    1.8983     1.2427     0.7175     1.2427     3.1275     0.0000 




ATOMIC CHARGES
   N   1   -0.2406289415
   C   2    0.0986229009
   C   3    0.0164269048
   C   4   -0.0187474138
   C   5    0.0169074106
   C   6    0.0013896183
   C   7    0.0033725131
   C   8    0.0436114399
   C   9    0.2131164880
   C  10    0.1197584979
   C  11    0.0311287624
   O  12   -0.2849581806


BOND ANGLES
  10    1    2  Car  Nar  Car    120.005
   1    2    3  Nar  Car  Car    119.995
  11    4    5   C3  Car  Car    120.006
   4    5    6  Car  Car  Car    119.991
   4    5   10  Car  Car  Car    120.006
  10    5    6  Car  Car  Car    120.002
   5    6    7  Car  Car  Car    119.995
  12    9   10   O3  Car  Car    119.995
   2    1   10  Car  Nar  Car    120.005
   6    5   10  Car  Car  Car    120.002
   5    4   11  Car  Car   C3    120.006
  10    9   12  Car  Car   O3    119.995


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