SMILES:C(=O)c1ccc(cc1)c1ccccn1	

FORMULA: C12H9NO
MASS: 183.2060
EXACT MASS: 183.0684139
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8325     0.0000 
   C   3    1.4419     0.8325     0.0000 
   C   4    2.2026     1.4419     0.8325     0.0000 
   C   5    2.4975     1.6650     1.4419     0.8324     0.0000 
   C   6    2.2026     1.4420     1.6650     1.4419     0.8325     0.0000 
   C   7    1.4420     0.8326     1.4419     1.6650     1.4419     0.8325 
   O   8    0.8324     1.4419     1.6650     2.4975     3.0016     2.8838 
   C   9    3.3300     2.4975     2.2025     1.4419     0.8325     1.4419 
   C  10    3.8150     3.0017     2.4975     1.6650     1.4419     2.2026 
   C  11    4.6352     3.8150     3.3300     2.4975     2.2026     2.8838 
   C  12    4.9950     4.1625     3.8149     3.0016     2.4975     3.0016 
   C  13    4.6352     3.8150     3.6288     2.8838     2.2026     2.4975 
   N  14    3.8150     3.0017     2.8838     2.2026     1.4420     1.6650 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.2026     0.0000 
   C   9    2.2026     3.8149     0.0000 
   C  10    2.8838     4.1625     0.8325     0.0000 
   C  11    3.6288     4.9950     1.4419     0.8325     0.0000 
   C  12    3.8150     5.4590     1.6650     1.4419     0.8324     0.0000 
   C  13    3.3300     5.1990     1.4420     1.6650     1.4419     0.8325 
   N  14    2.4975     4.4052     0.8326     1.4419     1.6650     1.4419 

              C  13      N  14
              ----------------------
   C  13    0.0000 
   N  14    0.8325     0.0000 



ATOMIC CHARGES
   C   1    0.2341513967
   C   2    0.0422126926
   C   3    0.0033352366
   C   4    0.0015987601
   C   5    0.0176530533
   C   6    0.0015987601
   C   7    0.0033352366
   O   8   -0.2831446894
   C   9    0.0813059972
   C  10    0.0191470049
   C  11    0.0031381936
   C  12    0.0206797353
   C  13    0.0988264765
   N  14   -0.2438378544


BOND ANGLES
   8    1    2   O2   C2  Car    119.999
   1    2    3   C2  Car  Car    120.005
   1    2    7   C2  Car  Car    120.002
   7    2    3  Car  Car  Car    119.993
   2    3    4  Car  Car  Car    120.005
   9    5    6  Car  Car  Car    119.996
   5    6    7  Car  Car  Car    119.996
   3    2    7  Car  Car  Car    119.993
   2    1    8  Car   C2   O2    119.999
  14    9   10  Nar  Car  Car    119.993
   9   10   11  Car  Car  Car    120.005
  10    9   14  Car  Car  Nar    119.993
   6    5    9  Car  Car  Car    119.996
   5    9   10  Car  Car  Car    120.005
   5    9   14  Car  Car  Nar    120.002


TORSION ANGLES
   8    1    2    3      0.026
   8    1    2    7    179.974
   1    2    3    4    179.974
   7    2    3    4      0.026
   2    3    4    5      0.026
   3    4    5    6      0.026
   3    4    5    9    179.974
   4    5    6    7      0.026
   9    5    6    7    179.974
   5    6    7    2      0.026
   1    2    7    6    179.974
   3    2    7    6      0.026
  14    9   10   11      0.026
   5    9   10   11    179.974
   9   10   11   12      0.026
  10   11   12   13      0.026
  11   12   13   14      0.026
  12   13   14    9      0.026
  10    9   14   13      0.026
   5    9   14   13    179.974
   4    5    9   10      0.026
   4    5    9   14    179.974
   6    5    9   10    179.974
   6    5    9   14      0.026