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0 0 2
methanol
meoh.res
MOH INT 0
CORRECT OMIT DU BEG
0.0
1 DUMM DU M 0 0 0 0.
2 DUMM DU M 0 0 0 1.000
3 DUMM DU M 0 0 0 1.000 90.
4 HC1 H1 M 0 0 0 1.0 90. 180. 0.0372
5 C1 CT M 0 0 0 1.0 109.5 180. 0.1166
6 HC2 H1 E 0 0 0 1.0 109.5 60. 0.0372
7 HC3 H1 E 0 0 0 1.0 109.5 -60. 0.0372
8 O1 OH M 0 0 0 1.410 109.5 180. -.6497
9 HO1 HO E 0 0 0 0.960 108. 180. 0.4215
DONE
STOP
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