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Diffstat (limited to 'hacks/images/molecules/sarin.pdb')
| -rw-r--r-- | hacks/images/molecules/sarin.pdb | 43 |
1 files changed, 43 insertions, 0 deletions
diff --git a/hacks/images/molecules/sarin.pdb b/hacks/images/molecules/sarin.pdb new file mode 100644 index 0000000..ae03028 --- /dev/null +++ b/hacks/images/molecules/sarin.pdb @@ -0,0 +1,43 @@ +HEADER Sarin: S Enantiomer, a chemical warfare agent +COMPND al3023 +AUTHOR Created by Dave Woodcock at Okanagan University College +AUTHOR email:woodcock@okanagan.bc.ca +AUTHOR Date revised: Wed Aug 30 12:33:12 2000 GENERATED BY BABEL 1.6 +HETATM 1 P 1 0.000 0.000 0.000 1.00 0.00 +HETATM 2 F 1 1.779 0.000 0.000 1.00 0.00 +HETATM 3 C 1 -0.611 1.725 0.000 1.00 0.00 +HETATM 4 O 1 -0.599 -0.840 1.463 1.00 0.00 +HETATM 5 O 1 -0.599 -0.841 -1.466 1.00 0.00 +HETATM 6 C 1 -1.898 -1.369 -1.304 1.00 0.00 +HETATM 7 C 1 -1.817 -2.772 -0.672 1.00 0.00 +HETATM 8 C 1 -2.555 -1.476 -2.694 1.00 0.00 +HETATM 9 H 1 -0.248 2.240 -0.890 1.00 0.00 +HETATM 10 H 1 -0.248 2.239 0.891 1.00 0.00 +HETATM 11 H 1 -1.701 1.724 0.000 1.00 0.00 +HETATM 12 H 1 -2.510 -0.718 -0.679 1.00 0.00 +HETATM 13 H 1 -1.372 -2.712 0.320 1.00 0.00 +HETATM 14 H 1 -1.203 -3.414 -1.303 1.00 0.00 +HETATM 15 H 1 -2.818 -3.194 -0.591 1.00 0.00 +HETATM 16 H 1 -1.961 -2.124 -3.339 1.00 0.00 +HETATM 17 H 1 -3.561 -1.885 -2.595 1.00 0.00 +HETATM 18 H 1 -2.613 -0.482 -3.136 1.00 0.00 +CONECT 1 2 3 4 4 5 +CONECT 2 1 +CONECT 3 1 9 10 11 +CONECT 4 1 1 +CONECT 5 1 6 +CONECT 6 5 7 8 12 +CONECT 7 6 13 14 15 +CONECT 8 6 16 17 18 +CONECT 9 3 +CONECT 10 3 +CONECT 11 3 +CONECT 12 6 +CONECT 13 7 +CONECT 14 7 +CONECT 15 7 +CONECT 16 8 +CONECT 17 8 +CONECT 18 8 +MASTER 0 0 0 0 0 0 0 0 18 0 18 0 +END |