#(N-benzyl)-glycine, Nphe
NAME 101
IO_STRING 101 X
TYPE POLYMER
AA UNK

ATOM  N   Nbb  NXX  -0.50
ATOM  CA  CAbb CT2  -0.15
ATOM  C   CObb C    0.65
ATOM  O   OCbb O    -0.52
ATOM  CA2 CH2  CT2  -0.15
ATOM  CB  aroC CA   -0.09
ATOM  CG1 aroC CA   -0.09
ATOM  CG2 aroC CA   -0.09
ATOM  CD1 aroC CA   -0.09
ATOM  CD2 aroC CA   -0.09
ATOM  CE  aroC CA   -0.09
ATOM 1HA1 Hapo HA   0.12
ATOM 2HA1 Hapo HA   0.12
ATOM 1HA2 Hapo HA   0.12
ATOM 2HA2 Hapo HA   0.12
ATOM 1HG1 Haro HP   0.14
ATOM 1HG2 Haro HP   0.14
ATOM 1HD1 Haro HP   0.14
ATOM 1HD2 Haro HP   0.14
ATOM 1HE  Haro HP   0.14
BOND  N    CA 
BOND  CA2 1HA1
BOND  CA2  N  
BOND  CB   CA2
BOND  CG1 1HG1
BOND  CG1  CB 
BOND  CD1  CG1
BOND  CE   CD2
BOND  CE   CD1
BOND  CD2  CG2
BOND  CG2 1HG2
BOND  CG2  CB 
BOND  CA  1HA2
BOND  CA  2HA2
BOND  CA   C  
BOND  O    C  
BOND  CA2 2HA1
BOND  CD1 1HD1
BOND  CE  1HE 
BOND  CD2 1HD2

ICOOR_INTERNAL    N      0.000000    0.000000    0.000000   N     CA    C  
ICOOR_INTERNAL    CA     0.000000    0.000000    1.441270   N     CA    C  
ICOOR_INTERNAL    C      0.000000   68.339544    1.532252   CA    N     C  
ICOOR_INTERNAL   LOWER   78.879513   64.136359    1.366345   N     CA    C  
ICOOR_INTERNAL   UPPER -172.317403   63.061851    1.357717   C     CA    N  
ICOOR_INTERNAL    O     10.214133   59.683844    1.202383   C     CA    N  
ICOOR_INTERNAL   1HA2  120.316386   71.207267    1.084093   CA    N     C  
ICOOR_INTERNAL   2HA2  117.461675   71.110540    1.077199   CA    N    1HA2
ICOOR_INTERNAL    CA2  159.712554   55.275117    1.452987   N    LOWER   CA 
ICOOR_INTERNAL    CB   127.347214   66.495166    1.519737   CA2   N    LOWER
ICOOR_INTERNAL    CG1  -41.349471   58.493053    1.390876   CB    CA2   N  
ICOOR_INTERNAL    CD1 -177.546593   59.352463    1.384153   CG1   CB    CA2
ICOOR_INTERNAL    CE    -0.001425   59.726185    1.386829   CD1   CG1   CB 
ICOOR_INTERNAL   1HE  -179.913797   59.785150    1.075316   CE    CD1   CG1
ICOOR_INTERNAL   1HD1 -179.947056   60.272593    1.075665   CD1   CG1   CE 
ICOOR_INTERNAL   1HG1 -179.417061   60.368965    1.075049   CG1   CB    CD1
ICOOR_INTERNAL    CG2 -177.840310   60.182128    1.388330   CB    CA2   CG1
ICOOR_INTERNAL    CD2  177.414020   59.150897    1.386925   CG2   CB    CA2
ICOOR_INTERNAL   1HD2  179.953553   60.222395    1.075515   CD2   CG2   CB 
ICOOR_INTERNAL   1HG2  179.961901   60.364186    1.076552   CG2   CB    CD2
ICOOR_INTERNAL   1HA1  122.775464   70.997726    1.082782   CA2   N     CB 
ICOOR_INTERNAL   2HA1  115.640388   70.945502    1.079025   CA2   N    1HA1

LOWER_CONNECT N
UPPER_CONNECT C
CHI 1  CA   N    CA2  CB
CHI 2  N    CA2  CB   CG1
NBR_ATOM  CB 
NBR_RADIUS 9.842277
FIRST_SIDECHAIN_ATOM  CA2
PROPERTIES PEPTOID AROMATIC
PEPTOID_ROTLIB_PATH 101.rotlib
PEPTOID_ROTLIB_NUM_ROTAMER_BINS 2 2 2