SMILES:[nH]1ccc2c(cccc12)OCc1ccccc1	

FORMULA: C15H13NO
MASS: 223.2698
EXACT MASS: 223.0997140
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    1.4461     0.8937     0.0000 
   C   4    1.4461     1.4461     0.8937     0.0000 
   C   5    2.2916     2.3278     1.6330     0.8938     0.0000 
   C   6    2.6681     2.9573     2.4139     1.5480     0.8937     0.0000 
   C   7    2.4138     2.9573     2.6682     1.7875     1.5480     0.8938 
   C   8    1.6329     2.3277     2.2915     1.5480     1.7875     1.5480 
   C   9    0.8937     1.4461     1.4461     0.8938     1.5480     1.7875 
   O  10    2.9900     2.7955     1.9418     1.5480     0.8938     1.5480 
   C  11    3.8075     3.6795     2.8346     2.3646     1.5480     1.7875 
   C  12    4.5367     4.2815     3.3963     3.0960     2.3646     2.6812 
   C  13    4.5946     4.1714     3.2820     3.2224     2.6812     3.2224 
   C  14    5.4398     4.9587     4.0826     4.0956     3.5750     4.0956 
   C  15    6.1274     5.7192     4.8299     4.7292     4.0956     4.4687 
   C  16    6.0841     5.8000     4.9084     4.6440     3.8957     4.0956 
   C  17    5.3418     5.1430     4.2656     3.8957     3.0960     3.2224 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5480     0.8937     0.0000 
   O  10    2.3646     2.6812     2.3646     0.0000 
   C  11    2.6812     3.2224     3.0960     0.8938     0.0000 
   C  12    3.5750     4.0956     3.8957     1.5480     0.8938     0.0000 
   C  13    4.0956     4.4687     4.0956     1.7875     1.5480     0.8937 
   C  14    4.9761     5.3624     4.9761     2.6812     2.3646     1.5480 
   C  15    5.3624     5.8606     5.5814     3.2224     2.6812     1.7875 
   C  16    4.9761     5.5814     5.4364     3.0960     2.3646     1.5480 
   C  17    4.0956     4.7292     4.6440     2.3646     1.5480     0.8938 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    0.8938     0.0000 
   C  15    1.5480     0.8938     0.0000 
   C  16    1.7875     1.5480     0.8937     0.0000 
   C  17    1.5480     1.7875     1.5480     0.8938     0.0000 



ATOMIC CHARGES
   N   1   -0.2437344350
   C   2    0.0989766757
   C   3    0.0251495151
   C   4    0.0531603337
   C   5    0.1404590091
   C   6    0.0370135399
   C   7    0.0046570941
   C   8    0.0192997904
   C   9    0.0842758598
   O  10   -0.4705923087
   C  11    0.2319854225
   C  12    0.0211608543
   C  13   -0.0006896248
   C  14   -0.0002074836
   C  15   -0.0000171340
   C  16   -0.0002074836
   C  17   -0.0006896248


BOND ANGLES
   9    1    2  Car  Nar  Car    107.999
   1    2    3  Nar  Car  Car    107.999
   9    4    5  Car  Car  Car    119.997
   4    5    6  Car  Car  Car    120.002
   4    5   10  Car  Car   O3    119.997
  10    5    6   O3  Car  Car    120.002
   5    6    7  Car  Car  Car    120.002
   2    1    9  Car  Nar  Car    107.999
   5    4    9  Car  Car  Car    119.997
  17   12   13  Car  Car  Car    120.002
  12   13   14  Car  Car  Car    120.002
  13   12   17  Car  Car  Car    120.002
   6    5   10  Car  Car   O3    120.002
   5   10   11  Car   O3   C3    119.997


TORSION ANGLES
   9    1    2    3      0.026
   1    2    3    4      0.026
   2    3    4    5    179.974
   2    3    4    9      0.026
   3    4    5    6    179.974
   3    4    5   10      0.026
   9    4    5    6      0.026
   9    4    5   10    179.974
   4    5    6    7      0.026
  10    5    6    7    179.974
   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
  10   11   12   13      0.026
  10   11   12   17    179.974
  11   12   13   14    179.974
  17   12   13   14      0.026
  12   13   14   15      0.026
  13   14   15   16      0.026
  14   15   16   17      0.026
  15   16   17   12      0.026
  11   12   17   16    179.974
  13   12   17   16      0.026
   5   10   11   12    179.974
   4    5   10   11    179.974
   6    5   10   11      0.026