SMILES:N1(C[C@@H](CC1)C(=O)O)Cc1ccccc1	

FORMULA: C12H15NO2
MASS: 205.2530
EXACT MASS: 205.1102787
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7483     0.0000 
   C   3    1.2108     0.7483     0.0000 
   C   4    1.2107     1.2107     0.7483     0.0000 
   C   5    0.7483     1.2107     1.2107     0.7483     0.0000 
   C   6    1.9363     1.3335     0.7483     1.3335     1.9363     0.0000 
   O   7    2.4931     2.0029     1.2960     1.5629     2.2904     0.7482 
   O   8    2.2904     1.5629     1.2961     2.0030     2.4931     0.7483 
   C   9    0.7483     1.3335     1.9363     1.9363     1.3335     2.6342 
   C  10    1.2961     2.0030     2.4931     2.2904     1.5629     3.2293 
   C  11    1.4966     2.2421     2.5296     2.1116     1.3743     3.2754 
   C  12    2.2449     2.9901     3.2473     2.7632     2.0574     3.9872 
   C  13    2.6980     3.4408     3.8090     3.4057     2.6704     4.5571 
   C  14    2.5922     3.2899     3.7849     3.5193     2.7722     4.5240 
   C  15    1.9798     2.6286     3.1904     3.0345     2.3109     3.9111 

              O   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    1.2960     0.0000 
   C   9    3.2293     2.8842     0.0000 
   C  10    3.7463     3.5657     0.7482     0.0000 
   C  11    3.6645     3.7466     1.2960     0.7483     0.0000 
   C  12    4.3261     4.4847     1.9798     1.2961     0.7483     0.0000 
   C  13    4.9606     4.9865     2.2448     1.4966     1.2961     0.7484 
   C  14    5.0213     4.8520     1.9798     1.2961     1.4966     1.2962 
   C  15    4.4639     4.1792     1.2960     0.7482     1.2960     1.4966 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.7483     0.0000 
   C  15    1.2961     0.7483     0.0000 



ATOMIC CHARGES
   N   1   -0.2684374279
   C   2    0.0836787706
   C   3    0.1206694246
   C   4    0.0299953740
   C   5    0.0729975267
   C   6    0.3657257950
   O   7   -0.2456166685
   O   8   -0.2456166685
   C   9    0.0991568626
   C  10   -0.0061414885
   C  11   -0.0029175365
   C  12   -0.0002787537
   C  13   -0.0000189196
   C  14   -0.0002787537
   C  15   -0.0029175365


BOND ANGLES
   5    1    2   C3   N3   C3    107.997
   1    2    3   N3   C3   C3    108.003
   9    1    2   C3   N3   C3    126.009
   1    2    3   N3   C3   C3    108.003
   6    3    4  Cac   C3   C3    126.004
   3    4    5   C3   C3   C3    108.003
   2    1    5   C3   N3   C3    107.997
   9    1    5   C3   N3   C3    125.993
   8    6    7 O.co2  Cac O.co2    119.996
   7    6    8 O.co2  Cac O.co2    119.996
   4    3    6   C3   C3  Cac    126.004
   3    6    7   C3  Cac O.co2    120.003
   3    6    8   C3  Cac O.co2    120.002
  15   10   11  Car  Car  Car    119.998
  10   11   12  Car  Car  Car    120.005
  11   10   15  Car  Car  Car    119.998
   2    1    9   C3   N3   C3    126.009
   1    9   10   N3   C3  Car    120.007
   5    1    9   C3   N3   C3    125.993
   1    9   10   N3   C3  Car    120.007


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


CHIRAL ATOMS
   N     1 is chiral: counterclockwise
   C     3 is chiral: clockwise