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Diffstat (limited to 'hacks/images/molecules/caffeine.pdb')
| -rw-r--r-- | hacks/images/molecules/caffeine.pdb | 54 |
1 files changed, 54 insertions, 0 deletions
diff --git a/hacks/images/molecules/caffeine.pdb b/hacks/images/molecules/caffeine.pdb new file mode 100644 index 0000000..830e75e --- /dev/null +++ b/hacks/images/molecules/caffeine.pdb @@ -0,0 +1,54 @@ +HEADER Caffeine: Trimethylxanthine; a cardiac stimulant and diuretic +AUTHOR Created by Dave Woodcock at Okanagan University College +AUTHOR email:woodcock@okanagan.bc.ca +AUTHOR Date revised: Fri Sep 29 14:53:27 2000 GENERATED BY BABEL 1.6 +HETATM 1 C 1 0.000 0.000 0.000 1.00 0.00 +HETATM 2 C 1 1.392 0.000 0.000 1.00 0.00 +HETATM 3 N 1 2.076 1.164 0.000 1.00 0.00 +HETATM 4 C 1 1.373 2.321 -0.003 1.00 0.00 +HETATM 5 O 1 1.978 3.365 -0.017 1.00 0.00 +HETATM 6 N 1 0.017 2.344 0.003 1.00 0.00 +HETATM 7 C 1 -0.710 1.202 0.002 1.00 0.00 +HETATM 8 O 1 -1.915 1.218 -0.006 1.00 0.00 +HETATM 9 N 1 -0.404 -1.287 -0.019 1.00 0.00 +HETATM 10 N 1 1.830 -1.279 -0.020 1.00 0.00 +HETATM 11 C 1 0.715 -2.048 -0.031 1.00 0.00 +HETATM 12 C 1 -1.795 -1.761 -0.044 1.00 0.00 +HETATM 13 C 1 3.546 1.178 -0.016 1.00 0.00 +HETATM 14 C 1 -0.690 3.634 -0.013 1.00 0.00 +HETATM 15 H 1 0.720 -3.138 -0.055 1.00 0.00 +HETATM 16 H 1 -1.813 -2.850 -0.090 1.00 0.00 +HETATM 17 H 1 -2.307 -1.428 0.860 1.00 0.00 +HETATM 18 H 1 -2.302 -1.352 -0.918 1.00 0.00 +HETATM 19 H 1 3.894 1.455 -1.011 1.00 0.00 +HETATM 20 H 1 3.929 0.190 0.239 1.00 0.00 +HETATM 21 H 1 3.911 1.904 0.710 1.00 0.00 +HETATM 22 H 1 -1.557 3.583 0.645 1.00 0.00 +HETATM 23 H 1 -0.027 4.428 0.329 1.00 0.00 +HETATM 24 H 1 -1.020 3.851 -1.029 1.00 0.00 +CONECT 1 2 2 7 9 +CONECT 2 1 1 3 10 +CONECT 3 2 4 13 +CONECT 4 3 5 5 6 +CONECT 5 4 4 +CONECT 6 4 7 14 +CONECT 7 1 6 8 8 +CONECT 8 7 7 +CONECT 9 1 11 12 +CONECT 10 2 11 11 +CONECT 11 9 10 10 15 +CONECT 12 9 16 17 18 +CONECT 13 3 19 20 21 +CONECT 14 6 22 23 24 +CONECT 15 11 +CONECT 16 12 +CONECT 17 12 +CONECT 18 12 +CONECT 19 13 +CONECT 20 13 +CONECT 21 13 +CONECT 22 14 +CONECT 23 14 +CONECT 24 14 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END |