SMILES:C(C(=O)N)(c1ncccc1)c1ccccc1	

FORMULA: C13H12N2O
MASS: 212.2472
EXACT MASS: 212.0949630
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3291     0.0000 
   C   3    1.3231     2.2947     0.0000 
   N   4    2.2854     3.4999     1.3208     0.0000 
   C   5    1.3235     2.2956     2.2958     2.6445     0.0000 
   O   6    2.3019     1.3272     3.5085     4.5873     2.6541     0.0000 
   N   7    2.3029     1.3279     2.6542     3.9750     3.5102     2.2959 
   C   8    3.4999     4.5888     2.2941     1.3256     3.9701     5.7767 
   C   9    2.2918     2.6446     1.3242     2.2956     3.5039     3.9718 
   C  10    2.2957     3.5102     2.6534     2.2918     1.3292     3.9833 
   C  11    2.3083     2.6600     3.5196     3.9825     1.3380     2.3018 
   C  12    3.9769     4.7802     2.6539     2.3042     4.7825     6.0777 
   C  13    3.5269     3.9950     4.6125     4.7933     2.3167     3.5238 
   C  14    3.5188     4.6063     3.9905     3.5145     2.3107     4.7961 
   C  15    3.4954     3.9619     2.2876     2.6519     4.5834     5.2891 
   C  16    3.9971     4.8002     4.8020     4.6084     2.6735     4.6125 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    4.7830     0.0000 
   C   9    2.2927     2.6583     0.0000 
   C  10    4.5987     3.4984     3.9776     0.0000 
   C  11    3.9878     5.3081     4.6000     2.3082     0.0000 
   C  12    4.5952     1.3386     2.3025     4.5959     6.0902     0.0000 
   C  13    5.3228     6.0862     5.7951     2.6703     1.3350     7.0378 
   C  14    5.7961     4.5917     5.3146     1.3370     2.6667     5.7919 
   C  15    3.4936     2.3101     1.3173     4.7764     5.7806     1.3376 
   C  16    6.0987     5.7893     6.0948     2.3166     2.3107     6.9126 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    2.3118     0.0000 
   C  15    6.9001     6.0832     0.0000 
   C  16    1.3333     1.3380     7.0307     0.0000 



ATOMIC CHARGES
   C   1    0.1419666647
   C   2    0.2700374292
   C   3    0.0715618624
   N   4   -0.2473490348
   C   5   -0.0081629920
   O   6   -0.2708936984
   N   7   -0.0871771637
   C   8    0.0984722512
   C   9    0.0155460984
   C  10   -0.0034330076
   C  11   -0.0034330076
   C  12    0.0206576455
   C  13   -0.0002997847
   C  14   -0.0002997847
   C  15    0.0028260193
   C  16   -0.0000194972


BOND ANGLES
   8   12   15  Car  Car  Car    119.359
  12   15    9  Car  Car  Car    120.281
  14   16   13  Car  Car  Car    119.859
  16   13   11  Car  Car  Car    119.988
  13   16   14  Car  Car  Car    119.859
  16   14   10  Car  Car  Car    119.999
  15   12    8  Car  Car  Car    119.359
  12    8    4  Car  Car  Nar    119.732


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


CHIRAL ATOMS
   C     1 is chiral: counterclockwise