SMILES:c1(CC(C(=O)O)N)c2c(ccc1)cccc2	

FORMULA: C13H13NO2
MASS: 215.2478
EXACT MASS: 215.0946287
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    3.6420     0.0000 
   C   3    1.3579     2.3997     0.0000 
   C   4    2.3834     1.3694     1.3763     0.0000 
   C   5    1.3684     4.7700     2.3703     3.6361     0.0000 
   O   6    4.7741     1.3721     3.6572     2.3907     6.0029     0.0000 
   C   7    2.3876     6.0053     3.6310     4.7710     1.3764     7.1616 
   N   8    2.7621     2.3745     2.3860     1.3886     4.1304     2.7543 
   O   9    4.1228     1.3931     2.7649     2.3765     4.9578     2.3938 
   C  10    1.3803     4.1192     2.3637     2.7499     2.3788     4.9611 
   C  11    2.3953     5.5039     3.6304     4.1347     2.7553     6.3125 
   C  12    2.3788     4.9740     2.7508     4.1269     1.3803     6.3171 
   C  13    2.7567     6.3079     4.1146     4.9656     2.3800     7.2899 
   C  14    3.6555     7.1751     4.7754     6.0147     2.4052     8.3958 
   C  15    3.6450     6.3283     4.1358     5.5119     2.3963     7.6820 
   C  16    4.1420     7.3092     4.9732     6.3222     2.7737     8.6209 

              C   7      N   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    4.9732     0.0000 
   O   9    6.3053     3.6441     0.0000 
   C  10    2.7624     2.3827     4.9545     0.0000 
   C  11    2.3983     3.6446     6.3085     1.3848     0.0000 
   C  12    2.3783     4.9703     4.7668     3.6409     4.1356     0.0000 
   C  13    1.3799     4.7744     6.8795     2.3917     1.3847     3.6381 
   C  14    1.3783     6.3251     7.3007     4.1405     3.6480     2.7741 
   C  15    2.7478     6.3231     6.0071     4.7751     4.9741     1.3850 
   C  16    2.3860     6.9041     7.1669     4.9781     4.7843     2.4000 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    2.3758     0.0000 
   C  15    4.1277     2.4026     0.0000 
   C  16    3.6443     1.3924     1.3835     0.0000 



ATOMIC CHARGES
   C   1   -0.0201501114
   C   2    0.3822011779
   C   3    0.0569324968
   C   4    0.1986352194
   C   5   -0.0039046909
   O   6   -0.2440385005
   C   7   -0.0003024177
   N   8   -0.1204543701
   O   9   -0.2440385005
   C  10   -0.0042068850
   C  11   -0.0003218112
   C  12   -0.0003119358
   C  13   -0.0000197731
   C  14   -0.0000097651
   C  15   -0.0000098869
   C  16   -0.0000002460


BOND ANGLES
  13    7    5  Car  Car  Car    119.416
   7    5    1  Car  Car  Car    120.885
  16   14    7  Car  Car  Car    118.894
  14    7    5  Car  Car  Car    121.647
  14    7   13  Car  Car  Car    118.937
   5    7   13  Car  Car  Car    119.416
   7   13   11  Car  Car  Car    120.336
   7   14   16  Car  Car  Car    118.894
  14   16   15  Car  Car  Car    119.887


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


CHIRAL ATOMS
   C     4 is chiral: counterclockwise