SMILES:N1(CC(CC1)CC(=O)O)C(=O)OC(C)(C)C	

FORMULA: C11H19NO4
MASS: 229.2729
EXACT MASS: 229.1314081
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     1.2108     0.7483     0.0000 
   C   5    0.7483     1.2108     1.2108     0.7483     0.0000 
   C   6    2.4932     2.0030     1.2961     1.5629     2.2905     0.0000 
   C   7    1.9363     1.3335     0.7483     1.3335     1.9363     0.7483 
   O   8    2.5296     2.2422     1.4966     1.3743     2.1117     0.7483 
   O   9    3.1905     2.6287     1.9798     2.3110     3.0347     0.7483 
   C  10    0.7483     1.3335     1.9363     1.9363     1.3335     3.2293 
   O  11    1.2962     1.5629     2.2904     2.4932     2.0030     3.5657 
   O  12    1.2961     2.0029     2.4932     2.2904     1.5629     3.7464 
   C  13    1.9798     2.6287     3.1905     3.0347     2.3110     4.4640 
   C  14    2.3344     3.0571     3.5027     3.1905     2.4422     4.7138 
   C  15    2.6980     3.3056     3.9066     3.7804     3.0591     5.1903 
   C  16    1.8735     2.3652     3.0347     3.0593     2.4160     4.3307 

              C   7      O   8      O   9      C  10      O  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.2960     0.0000 
   O   9    1.2961     1.2961     0.0000 
   C  10    2.6341     3.2754     3.9112     0.0000 
   O  11    2.8842     3.7466     4.1793     0.7484     0.0000 
   O  12    3.2293     3.6646     4.4640     0.7483     1.2961     0.0000 
   C  13    3.9112     4.4089     5.1697     1.2961     1.4966     0.7483 
   C  14    4.2480     4.5406     5.4476     1.7916     2.1770     1.0583 
   C  15    4.6137     5.1543     5.8858     1.9798     1.9797     1.4965 
   C  16    3.6972     4.4022     4.9895     1.1270     0.9274     1.0583 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    0.7483     0.0000 
   C  15    0.7482     1.0582     0.0000 
   C  16    0.7483     1.4966     1.0582     0.0000 



ATOMIC CHARGES
   N   1   -0.2460092160
   C   2    0.0972852598
   C   3    0.0329219875
   C   4    0.0238826302
   C   5    0.0967924478
   C   6    0.3649174001
   C   7    0.1158037839
   O   8   -0.2456530252
   O   9   -0.2456530252
   C  10    0.4046424409
   O  11   -0.2261970644
   O  12   -0.4417880826
   C  13    0.1378299069
   C  14    0.0437415187
   C  15    0.0437415187
   C  16    0.0437415187


BOND ANGLES
   5    1    2   C3  Nam   C3    108.006
   1    2    3  Nam   C3   C3    108.000
  10    1    2   C2  Nam   C3    125.997
   1    2    3  Nam   C3   C3    108.000
   7    3    4   C3   C3   C3    125.997
   3    4    5   C3   C3   C3    108.004
   2    1    5   C3  Nam   C3    108.006
  10    1    5   C2  Nam   C3    125.997
   8    6    7 O.co2  Cac   C3    119.995
   9    6    7 O.co2  Cac   C3    120.007
   7    6    8   C3  Cac O.co2    119.995
   9    6    8 O.co2  Cac O.co2    119.998
   7    6    9   C3  Cac O.co2    120.007
   8    6    9 O.co2  Cac O.co2    119.998
   4    3    7   C3   C3   C3    125.997
  12   10   11   O3   C2   O2    119.994
  11   10   12   O2   C2   O3    119.994
  10   12   13   C2   O3   C3    120.005
  15   13   14   C3   C3   C3     90.000
  16   13   14   C3   C3   C3    179.974
  14   13   15   C3   C3   C3     90.000
  16   13   15   C3   C3   C3     90.000
  14   13   16   C3   C3   C3    179.974
  15   13   16   C3   C3   C3     90.000
   2    1   10   C3  Nam   C2    125.997
   1   10   11  Nam   C2   O2    120.001
   1   10   12  Nam   C2   O3    120.005
   5    1   10   C3  Nam   C2    125.997
   1   10   11  Nam   C2   O2    120.001
   1   10   12  Nam   C2   O3    120.005


TORSION ANGLES
   5    1    2    3      0.026
  10    1    2    3    179.974
   1    2    3    4      0.026
   1    2    3    7    179.974
   2    3    4    5      0.026
   7    3    4    5    179.974
   3    4    5    1      0.026
   2    1    5    4      0.026
  10    1    5    4    179.974
   8    6    7    3      0.026
   9    6    7    3    179.974
   2    3    7    6    179.974
   4    3    7    6      0.026
  11   10   12   13      0.026
   1   10   12   13    179.974
  10   12   13   14    179.974
  10   12   13   15    180.000
  10   12   13   16      0.026
   2    1   10   11      0.026
   2    1   10   12    179.974
   5    1   10   11    179.974
   5    1   10   12      0.026


CHIRAL ATOMS
   N     1 is chiral: counterclockwise
   C     3 is chiral: counterclockwise
   C    13 is chiral: counterclockwise