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. 2012 Aug 8;5:14. doi: 10.1186/2046-1682-5-14

Table 2.

Comparison of geometric parameter between crystal structure of PEG[[22] and MD simulation results

Parameter Crystal MDs
HCH angle [°]
 109,01
 108,97
CCO angle [°]
 109,96
 109,87
COC angle [°]
 115,64
 115,09
OCC angle [°]
 109,49
 109,87
OC distance [Å]
 1,43
 1,45-1,452
CC distance [Å]
 1,48
 1,54
CC dihedral gauche [°]
 -74,95
 -73,43-74,18
OC dihedral trans [°] 177,41 170,13