SMILES:C1(C(=O)OCC)C(=O)CCNC1.Cl	

FORMULA: C8H14ClNO3
MASS: 207.6547
EXACT MASS: 207.0662210
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4136     0.0000 
   C   3    1.4269     2.4833     0.0000 
   N   4    2.4957     3.7770     2.8583     0.0000 
   O   5    2.4621     1.4500     2.8622     4.9578     0.0000 
   O   6    2.4704     2.8756     1.4375     4.2958     2.4750     0.0000 
   C   7    1.4417     2.4591     2.4741     1.4393     3.7804     3.7858 
   C   8    2.4959     3.7984     1.4388     2.4833     4.3009     2.4870 
   O   9    2.4625     1.4047     3.7738     4.2907     2.4678     4.2802 
  Cl  10    2.6105     2.5891     4.0046     3.1261     4.0128     5.0362 
   C  11    2.8715     4.2849     2.4699     1.4321     5.1540     3.7831 
   C  12    3.7844     2.4794     4.9625     5.7352     2.8647     5.1619 
   C  13    4.9625     3.7879     6.2476     6.5728     4.3019     6.5660 

              C   7      C   8      O   9     Cl  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.8740     0.0000 
   O   9    2.8514     4.9583     0.0000 
  Cl  10    1.9024     4.7202     1.9211     0.0000 
   C  11    2.4833     1.4251     5.1505     4.3630     0.0000 
   C  12    4.2959     6.2551     1.4445     3.1462     6.5636     0.0000 
   C  13    5.1665     7.4583     2.5000     3.5973     7.5833     1.4372 

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



ATOMIC CHARGES
   C   1    0.1734781227
   C   2    0.3250118022
   C   3    0.1637822622
   N   4   -0.2165668060
   O   5   -0.2495933118
   O   6   -0.2953972977
   C   7    0.1072515932
   C   8    0.0838850202
   O   9   -0.4481787123
  Cl  10    0.0000000000
   C  11    0.0964897274
   C  12    0.2085672240
   C  13    0.0512703759


BOND ANGLES
  11    8    3   C3   C3   C2    119.181
   8    3    1   C3   C2   C3    121.133
   3    8   11   C2   C3   C3    119.181
   8   11    4   C3   C3   N3    120.722


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


CHIRAL ATOMS
   C     1 is chiral: counterclockwise