SMILES:[nH]1cc(c2ccccc12)CC(=O)N	

FORMULA: C10H10N2O
MASS: 174.1992
EXACT MASS: 174.0793130
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8938     0.0000 
   C   3    1.4462     0.8938     0.0000 
   C   4    1.4461     1.4462     0.8938     0.0000 
   C   5    2.2916     2.3278     1.6329     0.8937     0.0000 
   C   6    2.6682     2.9574     2.4139     1.5480     0.8938     0.0000 
   C   7    2.4139     2.9574     2.6683     1.7875     1.5481     0.8938 
   C   8    1.6330     2.3278     2.2917     1.5480     1.7875     1.5480 
   C   9    0.8937     1.4461     1.4461     0.8937     1.5480     1.7875 
   C  10    2.7356     1.8667     1.5480     2.3924     2.9062     3.7833 
   C  11    2.3127     1.5927     0.8937     1.5928     2.0180     2.9017 
   O  12    2.5689     1.6882     1.8276     2.7189     3.4144     4.2354 
   N  13    3.6244     2.7601     2.3645     3.1396     3.4996     4.3934 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5481     0.8938     0.0000 
   C  10    4.1782     3.8385     2.9778     0.0000 
   C  11    3.3514     3.1139     2.3127     0.8937     0.0000 
   O  12    4.4669     3.9607     3.0670     0.8937     1.5709     0.0000 
   N  13    4.8954     4.6448     3.8105     0.8937     1.5479     1.5240 

              N  13
              -----------
   N  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2441640626
   C   2    0.0950524101
   C   3    0.0076299408
   C   4    0.0156507692
   C   5    0.0012429956
   C   6    0.0000886431
   C   7    0.0015443629
   C   8    0.0190876930
   C   9    0.0810500817
   C  10    0.2652093495
   C  11    0.1163826793
   O  12   -0.2712844264
   N  13   -0.0874904361


BOND ANGLES
   9    1    2  Car  Nar  Car    107.999
   1    2    3  Nar  Car  Car    108.000
  11    3    4   C3  Car  Car    126.005
   3    4    5  Car  Car  Car    131.994
   3    4    9  Car  Car  Car    107.999
   9    4    5  Car  Car  Car    120.008
   4    5    6  Car  Car  Car    119.996
   2    1    9  Car  Nar  Car    107.999
   5    4    9  Car  Car  Car    120.008
  12   10   11   O2   C2   C3    123.000
  13   10   11  Nam   C2   C3    119.997
  11   10   12   C3   C2   O2    123.000
  13   10   12  Nam   C2   O2    117.003
  11   10   13   C3   C2  Nam    119.997
  12   10   13   O2   C2  Nam    117.003
   4    3   11  Car  Car   C3    126.005


TORSION ANGLES
   9    1    2    3      0.026
   1    2    3    4      0.026
   1    2    3   11    179.974
   2    3    4    5    179.974
   2    3    4    9      0.026
  11    3    4    5      0.026
  11    3    4    9    179.974
   3    4    5    6    179.974
   9    4    5    6      0.026
   4    5    6    7      0.026
   5    6    7    8      0.026
   6    7    8    9      0.026
   7    8    9    1    179.974
   7    8    9    4      0.026
   2    1    9    8    179.974
   2    1    9    4      0.026
   3    4    9    8    179.974
   3    4    9    1      0.026
   5    4    9    8      0.026
   5    4    9    1    179.974
  12   10   11    3      0.026
  13   10   11    3    179.974
   2    3   11   10      0.026
   4    3   11   10    179.974