SMILES:c1(ccc2c(c1)cc([nH]2)C(=O)OC)C	

FORMULA: C11H11NO2
MASS: 189.2105
EXACT MASS: 189.0789786
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    1.4310     0.8255     0.0000 
   C   4    0.8229     1.4305     1.6530     0.0000 
   C   5    1.4273     1.6525     1.4341     0.8241     0.0000 
   C   6    1.6477     1.4286     0.8269     1.4278     0.8264     0.0000 
   N   7    2.4621     2.2288     1.5087     2.1160     1.3372     0.8265 
   C   8    2.7301     2.7326     2.1525     2.1506     1.3373     1.3374 
   C   9    2.2283     2.4665     2.1206     1.5091     0.8264     1.3372 
   C  10    0.8249     1.4303     2.1842     1.4264     2.1804     2.4726 
   C  11    3.5479     3.5502     2.9310     2.9300     2.1372     2.1373 
   O  12    4.0941     3.9492     3.2254     3.5722     2.7510     2.5274 
   O  13    3.9484     4.0974     3.5744     3.2264     2.5273     2.7511 
   C  14    4.8926     4.7723     4.0500     4.3314     3.5198     3.3480 

              N   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.8266     0.0000 
   C   9    1.3372     0.8265     0.0000 
   C  10    3.2855     3.5113     2.9317     0.0000 
   C  11    1.4716     0.8250     1.4715     4.3176     0.0000 
   O  12    1.7240     1.4289     2.2096     4.8984     0.8250     0.0000 
   O  13    2.2098     1.4289     1.7239     4.6522     0.8250     1.4289 
   C  14    2.5488     2.1827     2.8994     5.6876     1.4289     0.8250 

              O  13      C  14
              ----------------------
   O  13    0.0000 
   C  14    1.6500     0.0000 



ATOMIC CHARGES
   C   1   -0.0217524343
   C   2   -0.0027114733
   C   3    0.0187778722
   C   4   -0.0027080032
   C   5    0.0190491613
   C   6    0.0815230688
   N   7   -0.2388201112
   C   8    0.1566552510
   C   9    0.0271829174
   C  10    0.0310279206
   C  11    0.3592481437
   O  12   -0.4402886256
   O  13   -0.2431849867
   C  14    0.2560012994


BOND ANGLES
  10    1    2   C3  Car  Car    119.911
   1    2    3  Car  Car  Car    119.936
   6    5    4  Car  Car  Car    119.777
   5    4    1  Car  Car  Car    120.135
  11    8    9   C2  Car  Car    126.006
   8    9    5  Car  Car  Car    108.011
   2    1   10  Car  Car   C3    119.911
   4    5    6  Car  Car  Car    119.777
   5    6    7  Car  Car  Nar    107.999
   9    8   11  Car  Car   C2    126.006
   8   11   12  Car   C2   O3    119.997
   8   11   13  Car   C2   O2    119.998
  13   11   12   O2   C2   O3    120.005
  11   12   14   C2   O3   C3    119.997
  12   11   13   O3   C2   O2    120.005


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