SMILES:C(OC(=O)N[C@H](CC(C)C)C(=O)O)(C)(C)C	

FORMULA: C11H21NO4
MASS: 231.2887
EXACT MASS: 231.1470582
INTERATOMIC DISTANCES

              C   1      O   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.7468     0.0000 
   C   3    1.2917     0.7448     0.0000 
   N   4    1.9701     1.2875     0.7432     0.0000 
   C   5    2.5792     1.9679     1.2875     0.7448     0.0000 
   C   6    0.7468     1.2916     1.9727     2.5791     3.2458     0.0000 
   C   7    2.6786     2.2271     1.4823     1.2879     0.7458     3.4076 
   O   8    1.4859     1.2880     0.7458     1.2935     1.4936     2.2327 
   C   9    0.7458     1.2956     1.4971     2.2403     2.6911     1.2915 
   C  10    0.7426     1.4894     1.9727     2.6848     3.2467     0.7417 
   C  11    3.4035     2.9699     2.2251     1.9673     1.2889     4.1388 
   C  12    3.7089     3.3992     2.6722     2.5732     1.9666     4.4557 
   C  13    3.9334     3.4058     2.6774     2.2324     1.4877     4.6450 
   C  14    3.2477     2.5792     1.9701     1.2917     0.7468     3.8708 
   O  15    3.8713     3.2461     2.5796     1.9728     1.2921     4.5318 
   O  16    3.4150     2.6853     2.2347     1.4915     1.2914     3.9418 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.2875     0.0000 
   C   9    2.5792     1.2917     0.0000 
   C  10    3.2422     1.9694     0.7453     0.0000 
   C  11    0.7428     1.9643     3.2415     3.9337     0.0000 
   C  12    1.2852     2.2230     3.4021     4.1350     0.7416     0.0000 
   C  13    1.2872     2.5747     3.8664     4.5239     0.7428     1.2852 
   C  14    1.2956     2.2403     3.4208     3.9428     1.4952     2.2368 
   O  15    1.4963     2.6908     3.9484     4.5328     1.2989     1.9765 
   O  16    1.9745     2.6910     3.7318     4.1478     2.2394     2.9810 

              C  13      C  14      O  15      O  16
              --------------------------------------------
   C  13    0.0000 
   C  14    1.2955     0.0000 
   O  15    0.7547     0.7464     0.0000 
   O  16    1.9781     0.7442     1.2917     0.0000 



ATOMIC CHARGES
   C   1    0.1378772484
   O   2   -0.4407889640
   C   3    0.4213598477
   N   4   -0.1589036084
   C   5    0.2011338373
   C   6    0.0437421798
   C   7    0.0334054020
   O   8   -0.2245539039
   C   9    0.0437421798
   C  10    0.0437421798
   C  11    0.0022792048
   C  12    0.0000709532
   C  13    0.0000709532
   C  14    0.3843179599
   O  15   -0.2437477347
   O  16   -0.2437477347


BOND ANGLES
  10    1    9   C3   C3   C3     60.096
   6    1    9   C3   C3   C3    119.828
   2    1    9   O3   C3   C3    120.458
   9    1   10   C3   C3   C3     60.096
   6    1   10   C3   C3   C3     59.732
   2    1   10   O3   C3   C3    179.446
  14    5    4  Cac   C3  Nam    119.998
   7    5    4   C3   C3  Nam    119.544
   4    5   14  Nam   C3  Cac    119.998
   5   14   15   C3  Cac O.co2    119.847
   5   14   16   C3  Cac O.co2    120.027
   7    5   14   C3   C3  Cac    120.458
   5   14   15   C3  Cac O.co2    119.847
   5   14   16   C3  Cac O.co2    120.027
   9    1    6   C3   C3   C3    119.828
  10    1    6   C3   C3   C3     59.732
   2    1    6   O3   C3   C3    119.715
  13   11   12   C3   C3   C3    119.954
   9    1    2   C3   C3   O3    120.458
   1    2    3   C3   O3   C2    119.991
  10    1    2   C3   C3   O3    179.446
   1    2    3   C3   O3   C2    119.991
   6    1    2   C3   C3   O3    119.715
   1    2    3   C3   O3   C2    119.991
  12   11   13   C3   C3   C3    119.954
   4    3    8  Nam   C2   O2    120.620
   4    5    7  Nam   C3   C3    119.544
   5    7   11   C3   C3   C3    119.950
  14    5    7  Cac   C3   C3    120.458
   5    7   11   C3   C3   C3    119.950
   8    3    4   O2   C2  Nam    120.620
  16   14   15 O.co2  Cac O.co2    120.126
  15   14   16 O.co2  Cac O.co2    120.126


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


CHIRAL ATOMS
   C     1 is chiral: counterclockwise
   C     5 is chiral: counterclockwise
   C    11 is chiral: counterclockwise