source: molecuilder/src/Hbondangle.db@ a709c4

Last change on this file since a709c4 was 139f8c, checked in by Frederik Heber <heber@…>, 17 years ago

corrected number of valence orbitals for Calcium (2 -> 4) and inserted typical bond distance and angle (first taken from bpti, second guessed)

  • Property mode set to 100644
File size: 180 bytes
RevLine 
[a0bcf1]11 180 -1 -1
25 180 131.0 109.2
36 180 120 109.47
47 180 110 106.67
58 180 104.5 -1
[139f8c]614 180 120 109.47
[a0bcf1]715 180 -1 -1
816 180 -1 -1
917 180 -1 -1
[139f8c]1020 180 120 109.47
[a0bcf1]1134 180 -1 -1
1235 180 -1 -1
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