SMILES:C(=O)(NCC(=O)OC)OC(C)(C)C	

FORMULA: C8H15NO4
MASS: 189.2090
EXACT MASS: 189.1001080
INTERATOMIC DISTANCES

              C   1      C   2      N   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.9555     0.0000 
   N   3    0.7354     1.2833     0.0000 
   O   4    0.7391     2.5625     1.2792     0.0000 
   O   5    0.7458     2.2197     1.2822     1.2843     0.0000 
   O   6    2.2156     0.7375     1.4801     2.6665     2.6668     0.0000 
   C   7    1.2792     3.2209     1.9515     0.7354     1.4807     3.3852 
   C   8    1.2833     0.7354     0.7426     1.9596     1.4843     1.2750 
   O   9    2.5583     0.7354     1.9555     3.2209     2.6648     1.2750 
   C  10    1.9515     3.8375     2.5542     1.2750     2.2162     3.9077 
   C  11    1.4807     3.3879     2.2162     1.2822     1.2792     3.6963 
   C  12    1.9522     3.9077     2.6585     1.4729     1.9530     4.1112 
   C  13    3.2168     1.2750     2.5583     3.8375     3.3839     1.4729 

              C   7      C   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5625     0.0000 
   O   9    3.8375     1.2750     0.0000 
   C  10    0.7354     3.2209     4.4900     0.0000 
   C  11    0.7458     2.6688     3.9093     1.2822     0.0000 
   C  12    0.7375     3.2214     4.4903     0.7375     0.7396     0.0000 
   C  13    4.4900     1.9473     0.7354     5.1125     4.6112     5.1654 

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



ATOMIC CHARGES
   C   1    0.4214247812
   C   2    0.3395896677
   N   3   -0.1566291868
   O   4   -0.4407883851
   O   5   -0.2245529761
   O   6   -0.2481106257
   C   7    0.1378772518
   C   8    0.2274783825
   O   9   -0.4431736241
   C  10    0.0437421798
   C  11    0.0437421798
   C  12    0.0437421798
   C  13    0.2556581753


BOND ANGLES


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


CHIRAL ATOMS
   C     7 is chiral: counterclockwise