Where does THIS come from? Hex code in a PDB file? Is that spec?
ATOM 99998 H1 TIP3W3304 -28.543 60.673 40.064 1.00 0.00
WT5 H
ATOM 99999 H2 TIP3W3304 -27.773 60.376 41.353 1.00 0.00
WT5 H
ATOM 186a0 OH2 TIP3W3305 -24.713 61.533 47.372 1.00 0.00
WT5 O
ATOM 186a1 H1 TIP3W3305 -25.652 61.772 47.519 1.00 0.00
WT5 H
ATOM 186a2 H2 TIP3W3305 -24.713 61.625 46.379 1.00 0.00
WT5 H
Bob
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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