C6H8N2O2-1

1-Methylthymine

Experimental GED r_e structure <bib id="VogtJPCA2015"/>. <jmol>

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18

experimental re structure (dynamic model)
N                 -3.14536171    1.37309716    0.00597786
C                 -2.43588694    0.09602807    0.00816862
N                 -1.05066233    0.19178065    0.00734153
C                 -0.31743268    1.32141950    0.00543879
C                 -1.08739022    2.58169860    0.00274837
C                 -2.42525683    2.54275251    0.00301052
O                 -3.05331780   -0.96586406    0.01046307
O                  0.90067322    1.28593429    0.00562631
C                 -0.34798861    3.85866306   -0.00054162
C                 -4.61282327    1.31452640    0.00686944
H                 -0.57360435   -0.70668182    0.00838472
H                 -3.03670487    3.44887442    0.00108627
H                 -4.99020539    2.33585370    0.00531612
H                 -4.96675004    0.79687683    0.89496584
H                 -4.96937838    0.79365480   -0.87804064
H                 -1.04259697    4.69237322   -0.00185370
H                  0.27986210    3.93001992    0.88325455
H                  0.28271267    3.93187426   -0.88112791
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