SMILES:C1CC1(C(=O)O)NC(=O)OC(C)(C)C	ChemMol.com

FORMULA: C9H15NO4
MASS: 201.2197
EXACT MASS: 201.1001080
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4000     0.0000 
   C   3    1.4000     1.4000     0.0000 
   C   4    1.9799     2.7046     1.4001     0.0000 
   O   5    2.1084     3.3519     2.4249     1.4000     0.0000 
   O   6    3.3518     3.8249     2.4249     1.4000     2.4249     0.0000 
   N   7    2.7045     1.9799     1.4000     2.4249     3.7040     2.8000 
   C   8    3.3518     2.1083     2.4248     3.7040     4.8497     4.2000 
   O   9    4.7402     3.5050     3.7040     4.8498     6.1025     5.0478 
   O  10    3.1304     1.7350     2.7999     4.2000     5.0477     5.0478 
   C  11    5.6808     4.3234     4.8499     6.1027     7.2748     6.4158 
   C  12    7.0277     5.6933     6.1028     7.2750     8.5162     7.4085 
   C  13    5.5531     4.1541     5.0479     6.4158     7.4083     7.0002 
   C  14    6.7819     5.3869     6.1028     7.4085     8.5162     7.7952 

              N   7      C   8      O   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    1.4000     0.0000 
   O   9    2.4249     1.4001     0.0000 
   O  10    2.4249     1.4000     2.4249     0.0000 
   C  11    3.7042     2.4251     1.4001     2.8002     0.0000 
   C  12    4.8501     3.7044     2.4252     4.2003     1.4001     0.0000 
   C  13    4.2002     2.8002     2.4250     2.4251     1.4000     2.4250 
   C  14    5.0481     3.7044     2.8003     3.7044     1.4001     1.4000 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.4001     0.0000 



ATOMIC CHARGES
   C   1    0.0334158328
   C   2    0.0334158328
   C   3    0.1747847011
   C   4    0.3821474186
   O   5   -0.2438273642
   O   6   -0.2438273642
   N   7   -0.1611638099
   C   8    0.4212953333
   O   9   -0.4407895391
   O  10   -0.2245548256
   C  11    0.1378772450
   C  12    0.0437421798
   C  13    0.0437421798
   C  14    0.0437421798


BOND ANGLES
   4    3    1  Cac   C3   C3     89.998
   3    1    2   C3   C3   C3     59.999
   7    3    1  Nam   C3   C3    150.001
   3    1    2   C3   C3   C3     59.999
   1    3    4   C3   C3  Cac     89.998
   3    4    5   C3  Cac O.co2    120.001
   3    4    6   C3  Cac O.co2    119.999
   7    3    4  Nam   C3  Cac    120.001
   3    4    5   C3  Cac O.co2    120.001
   3    4    6   C3  Cac O.co2    119.999
   1    3    7   C3   C3  Nam    150.001
   3    7    8   C3  Nam   C2    119.999
   4    3    7  Cac   C3  Nam    120.001
   3    7    8   C3  Nam   C2    119.999
   6    4    5 O.co2  Cac O.co2    120.001
   5    4    6 O.co2  Cac O.co2    120.001
  10    8    9   O2   C2   O3    119.999
   8    9   11   C2   O3   C3    120.005
   9    8   10   O3   C2   O2    119.999
  13   11   12   C3   C3   C3    119.997
  14   11   12   C3   C3   C3     59.993
  12   11   13   C3   C3   C3    119.997
  14   11   13   C3   C3   C3     60.003
  12   11   14   C3   C3   C3     59.993
  13   11   14   C3   C3   C3     60.003


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