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Diffstat (limited to 'hacks/images/molecules/mescaline.pdb')
| -rw-r--r-- | hacks/images/molecules/mescaline.pdb | 71 |
1 files changed, 71 insertions, 0 deletions
diff --git a/hacks/images/molecules/mescaline.pdb b/hacks/images/molecules/mescaline.pdb new file mode 100644 index 0000000..7143a22 --- /dev/null +++ b/hacks/images/molecules/mescaline.pdb @@ -0,0 +1,71 @@ +HEADER Mescaline: Peyote, an hallucinogen +COMPND jb12mesc +AUTHOR Created by Dave Woodcock at Okanagan University College +AUTHOR email:woodcock@okanagan.bc.ca +AUTHOR Date revised: Wed Sep 20 16:26:54 2000 GENERATED BY BABEL 1.6 +HETATM 1 C 1 0.000 0.000 0.000 1.00 0.00 +HETATM 2 C 1 1.398 0.000 0.000 1.00 0.00 +HETATM 3 C 1 2.098 1.213 0.000 1.00 0.00 +HETATM 4 C 1 1.399 2.424 -0.005 1.00 0.00 +HETATM 5 C 1 -0.001 2.422 0.013 1.00 0.00 +HETATM 6 C 1 -0.700 1.211 0.014 1.00 0.00 +HETATM 7 O 1 -2.062 1.209 0.026 1.00 0.00 +HETATM 8 C 1 -2.564 1.047 -1.282 1.00 0.00 +HETATM 9 O 1 -0.682 -1.180 -0.024 1.00 0.00 +HETATM 10 C 1 -0.867 -1.664 1.288 1.00 0.00 +HETATM 11 O 1 2.078 -1.180 -0.002 1.00 0.00 +HETATM 12 C 1 2.225 -1.657 -1.321 1.00 0.00 +HETATM 13 C 1 2.154 3.735 -0.007 1.00 0.00 +HETATM 14 C 1 2.388 4.190 1.447 1.00 0.00 +HETATM 15 N 1 3.124 5.464 1.464 1.00 0.00 +HETATM 16 H 1 3.188 1.207 0.000 1.00 0.00 +HETATM 17 H 1 -0.549 3.364 0.023 1.00 0.00 +HETATM 18 H 1 -2.231 0.093 -1.690 1.00 0.00 +HETATM 19 H 1 -2.208 1.859 -1.916 1.00 0.00 +HETATM 20 H 1 -3.653 1.064 -1.252 1.00 0.00 +HETATM 21 H 1 -1.432 -0.938 1.873 1.00 0.00 +HETATM 22 H 1 0.101 -1.837 1.758 1.00 0.00 +HETATM 23 H 1 -1.419 -2.603 1.248 1.00 0.00 +HETATM 24 H 1 2.775 -0.929 -1.917 1.00 0.00 +HETATM 25 H 1 1.244 -1.825 -1.765 1.00 0.00 +HETATM 26 H 1 2.777 -2.597 -1.303 1.00 0.00 +HETATM 27 H 1 1.574 4.490 -0.538 1.00 0.00 +HETATM 28 H 1 3.114 3.603 -0.507 1.00 0.00 +HETATM 29 H 1 2.966 3.432 1.976 1.00 0.00 +HETATM 30 H 1 1.427 4.321 1.944 1.00 0.00 +HETATM 31 H 1 2.590 6.179 0.982 1.00 0.00 +HETATM 32 H 1 4.024 5.350 1.012 1.00 0.00 +CONECT 1 2 2 6 9 +CONECT 2 1 1 3 11 +CONECT 3 2 4 4 16 +CONECT 4 3 3 5 13 +CONECT 5 4 6 6 17 +CONECT 6 1 5 5 7 +CONECT 7 6 8 +CONECT 8 7 18 19 20 +CONECT 9 1 10 +CONECT 10 9 21 22 23 +CONECT 11 2 12 +CONECT 12 11 24 25 26 +CONECT 13 4 14 27 28 +CONECT 14 13 15 29 30 +CONECT 15 14 31 32 +CONECT 16 3 +CONECT 17 5 +CONECT 18 8 +CONECT 19 8 +CONECT 20 8 +CONECT 21 10 +CONECT 22 10 +CONECT 23 10 +CONECT 24 12 +CONECT 25 12 +CONECT 26 12 +CONECT 27 13 +CONECT 28 13 +CONECT 29 14 +CONECT 30 14 +CONECT 31 15 +CONECT 32 15 +MASTER 0 0 0 0 0 0 0 0 32 0 32 0 +END |