SMILES:c1ccc2c(c1)c(=O)c1c([nH]2)cc(cc1)N	

FORMULA: C13H10N2O
MASS: 210.2313
EXACT MASS: 210.0793130
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   C   3    1.4309     0.8255     0.0000 
   C   4    0.8228     1.4305     1.6530     0.0000 
   C   5    1.4272     1.6525     1.4341     0.8241     0.0000 
   C   6    1.6497     1.4272     0.8224     1.4329     0.8331     0.0000 
   N   7    2.4782     2.1843     1.4293     2.1898     1.4389     0.8285 
   C   8    2.1863     2.4833     2.1934     1.4335     0.8308     1.4430 
   C   9    2.8668     2.9854     2.4856     2.1939     1.4396     1.6633 
   C  10    2.9826     2.8667     2.1912     2.4852     1.6611     1.4395 
   C  11    3.7906     3.6066     2.8680     3.3123     2.4882     2.1946 
   C  12    4.3782     4.3006     3.6095     3.7958     2.9899     2.8734 
   C  13    4.2967     4.3778     3.7933     3.6080     2.8695     2.9895 
   C  14    3.6040     3.7906     3.3100     2.8682     2.1918     2.4877 
   O  15    2.4811     2.9846     2.8694     1.6583     1.4353     2.1970 
   N  16    5.1652     5.0325     4.3009     4.6087     3.7963     3.6117 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    1.6661     0.0000 
   C   9    1.4412     0.8348     0.0000 
   C  10    0.8344     1.4416     0.8289     0.0000 
   C  11    1.4387     2.1971     1.4336     0.8271     0.0000 
   C  12    2.1966     2.4898     1.6550     1.4339     0.8287     0.0000 
   C  13    2.4901     2.1913     1.4299     1.6557     1.4368     0.8321 
   C  14    2.1954     1.4347     0.8244     1.4332     1.6562     1.4354 
   O  15    2.4911     0.8250     1.4389     2.1953     2.8725     2.9899 
   N  16    2.8716     3.3148     2.4800     2.1880     1.4329     0.8250 

              C  13      C  14      O  15      N  16
              --------------------------------------------
   C  13    0.0000 
   C  14    0.8257     0.0000 
   O  15    2.4839     1.6582     0.0000 
   N  16    1.4359     2.1891     3.7957     0.0000 



ATOMIC CHARGES
   C   1    0.0001999351
   C   2    0.0015471985
   C   3    0.0191998092
   C   4    0.0046894832
   C   5    0.0566122562
   C   6    0.0843368164
   N   7   -0.2451077086
   C   8    0.1984522467
   C   9    0.0566981791
   C  10    0.0856805815
   C  11    0.0372436374
   C  12    0.0905939230
   C  13    0.0182566827
   C  14    0.0060729587
   O  15   -0.2864694216
   N  16   -0.1280065775


BOND ANGLES
  10    9    8  Car  Car  Car    120.109
   9    8   15  Car  Car   O2    120.199
   6    5    4  Car  Car  Car    119.680
   5    4    1  Car  Car  Car    120.132
   8    5    4  Car  Car  Car    120.046
   5    4    1  Car  Car  Car    120.132
   8    9   10  Car  Car  Car    120.109
   9   10   11  Car  Car  Car    119.932
   4    5    6  Car  Car  Car    119.680
   5    6    7  Car  Car  Nar    119.995
   8    5    6  Car  Car  Car    120.274
   5    6    7  Car  Car  Nar    119.995
  16   12   13  Npl  Car  Car    120.104
  12   13   14  Car  Car  Car    119.958
   4    5    8  Car  Car  Car    120.046
   5    8   15  Car  Car   O2    120.191
   6    5    8  Car  Car  Car    120.274
   5    8   15  Car  Car   O2    120.191
  13   12   16  Car  Car  Npl    120.104


TORSION ANGLES
   5    6    7   10      0.026
   3    6    7   10    179.974
   6    7   10    9      0.026
   6    7   10   11    179.974
  10    9    8   15    179.974
  10    9    8    5      0.026
  14    9    8   15      0.026
  14    9    8    5    179.974
   6    5    4    1      0.026
   8    5    4    1    179.974
   5    4    1    2      0.026
   8    9   10    7      0.026
   8    9   10   11    179.974
  14    9   10    7    179.974
  14    9   10   11      0.026
   4    5    6    7    179.974
   4    5    6    3      0.026
   8    5    6    7      0.026
   8    5    6    3    179.974
   7   10   11   12    179.974
   9   10   11   12      0.026
  10   11   12   13      0.026
  10   11   12   16    179.974
   1    2    3    6      0.026
  11   12   13   14      0.026
  16   12   13   14    179.974
   2    3    6    7    179.974
   2    3    6    5      0.026
  12   13   14    9      0.026
  13   14    9    8    179.974
  13   14    9   10      0.026
   4    1    2    3      0.026
   4    5    8    9    179.974
   4    5    8   15      0.026
   6    5    8    9      0.026
   6    5    8   15    179.974