SMILES:c1(c(nco1)CO)c1ccccc1	

FORMULA: C10H9NO2
MASS: 175.1840
EXACT MASS: 175.0633285
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2442     0.0000 
   N   3    2.0202     1.2509     0.0000 
   C   4    2.0242     2.0237     1.2507     0.0000 
   O   5    1.2521     2.0218     2.0239     1.2528     0.0000 
   C   6    1.2543     2.2283     3.2375     3.2392     2.2294     0.0000 
   C   7    2.2216     1.2487     2.2256     3.2337     3.2328     2.7199 
   O   8    3.3403     2.1654     2.6104     3.8264     4.1644     3.9646 
   C   9    2.1676     2.6134     3.8300     4.1699     3.3481     1.2500 
   C  10    2.1667     3.3424     4.1634     3.8265     2.6084     1.2471 
   C  11    3.3096     4.3892     5.3295     5.0706     3.8588     2.1625 
   C  12    3.3083     3.8602     5.0704     5.3323     4.3912     2.1634 
   C  13    3.7521     4.5967     5.7088     5.7102     4.5967     2.4978 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.2491     0.0000 
   C   9    2.4920     3.6827     0.0000 
   C  10    3.9619     5.2024     2.1634     0.0000 
   C  11    4.7783     6.0240     2.4978     1.2507     0.0000 
   C  12    3.6499     4.7700     1.2471     2.5000     2.1654     0.0000 
   C  13    4.6524     5.8423     2.1625     2.1654     1.2500     1.2507 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.1632737586
   C   2    0.1297638481
   N   3   -0.2060063671
   C   4    0.2848592634
   O   5   -0.4314258873
   C   6    0.0358990070
   C   7    0.2306276350
   O   8   -0.2133404825
   C   9    0.0030730644
   C  10    0.0030730644
   C  11    0.0001002809
   C  12    0.0001002809
   C  13    0.0000025342


BOND ANGLES
   3    4    5  Nar  Car   O2    107.888
   4    5    1  Car   O2  Car    107.824
  13   12    9  Car  Car  Car    119.941
  12    9    6  Car  Car  Car    120.077
   5    4    3   O2  Car  Nar    107.888
   4    3    2  Car  Nar  Car    107.989
   9   12   13  Car  Car  Car    119.941
  12   13   11  Car  Car  Car    119.982


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