PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

Phenylalanine_r   1267 Phenylalanine Ca-Cb-Cc should be 113.6 (Geo)

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    #  Species Formula
  1257 Salicylaldoxime (Geo)C7H7NO2
  1258 Methyl N,N-,a,a-tetramethylglycinateC7H15NO2
  1259 2,6-DimethylnitrobenzeneC8H9NO2
  1260 2-Amino-2-phenylacetic acidC8H9NO2
  1261 2-Nitro-m-xyleneC8H9NO2
  1262 N-PhenylglycineC8H9NO2
  1263 8-Aminocaprylic acidC8H17NO2
  1264 2-Methyl-1H-isoindole-1,3(2H)-dioneC9H7NO2
  1265 NitromesityleneC9H11NO2
  1266 PhenylalanineC9H11NO2
  1267 Phenylalanine Ca-Cb-Cc should be 113.6 (Geo) C9H11NO2
  1268 2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxyC9H16NO2
  1269 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneC9H17NO2
  1270 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2
  1271 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinolC9H19NO2
  1272 1-Nitroso-2-naphthalenolC10H7NO2
  1273 1-Nitroso-4-naphthalenolC10H7NO2
  1274 2-Nitroso-1-naphthalenolC10H7NO2
  1275 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1276 1-NitroadamantaneC10H15NO2
  1277 2-NitroadamantaneC10H15NO2 


  
 PM7
Phenylalanine Ca-Cb-Cc should be 113.6
 <> <><C-C-C> GR=CSD GWT=5
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54409241 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.49353971 +1  113.6000000 +1    0.0000000 +0     2     1     0
  C     2.41583696 +1  150.2831857 +1  104.9064149 +1     3     2     1
  C     1.39336508 +1   90.1194570 +1 -178.6933065 +1     4     3     2
  C     1.39426459 +1  119.8866083 +1   -0.1496739 +1     5     4     3
  C     1.52139178 +1  107.3519367 +1  179.5254407 +1     1     2     3
  O     1.20032763 +1  128.4829680 +1   72.8273474 +1     7     1     2
  O     1.35569459 +1  109.8620648 +1 -177.8178768 +1     7     1     8
  H     2.15295886 +1  146.1110047 +1    0.0377439 +1     6     5     4
  H     2.15152176 +1   56.0777359 +1 -179.8612104 +1     4     3     5
  H     1.08892880 +1  149.9257155 +1    0.0203699 +1     4     3    11
  H     1.08818820 +1  120.0661244 +1 -179.8774490 +1     5     4     6
  H     1.08874497 +1  119.9318566 +1 -179.8318056 +1     6     5    10
  H     1.11404903 +1  109.0850234 +1 -122.4007161 +1     2     1     3
  H     1.11309026 +1  109.3326429 +1 -113.5292353 +1     2     1    15
  H     0.98866532 +1  113.8641892 +1 -178.9704013 +1     9     7     1
  N     1.46877137 +1  115.0412455 +1  118.4840388 +1     1     2     7
  H     1.12675270 +1  109.8857102 +1  121.7428927 +1     1     2    18
  H     1.00901964 +1  111.6188089 +1   63.1093882 +1    18     1     2
  H     1.01039979 +1  112.4541907 +1 -123.3694176 +1    18     1    20
  C     1.08842947 +1   34.0909072 +1    0.1699291 +1    10     6     5
  C     1.08808786 +1   34.2201631 +1   -0.1836109 +1    11     4     3