diff options
Diffstat (limited to 'hacks/images/molecules/ibuprofen.pdb')
| -rw-r--r-- | hacks/images/molecules/ibuprofen.pdb | 72 |
1 files changed, 72 insertions, 0 deletions
diff --git a/hacks/images/molecules/ibuprofen.pdb b/hacks/images/molecules/ibuprofen.pdb new file mode 100644 index 0000000..48d3dba --- /dev/null +++ b/hacks/images/molecules/ibuprofen.pdb @@ -0,0 +1,72 @@ +HEADER Ibuprofen: Advil/Motrin, an anti-inflammatory +AUTHOR Created by Dave Woodcock at Okanagan University College +AUTHOR email:woodcock@okanagan.bc.ca +AUTHOR Date revised: Fri Sep 1 09:41:05 2000 GENERATED BY BABEL 1.6 +HETATM 1 C 1 0.000 0.000 0.000 1.00 0.00 +HETATM 2 C 1 1.399 0.000 0.000 1.00 0.00 +HETATM 3 C 1 2.098 1.212 0.000 1.00 0.00 +HETATM 4 C 1 1.391 2.419 0.004 1.00 0.00 +HETATM 5 C 1 -0.008 2.417 0.005 1.00 0.00 +HETATM 6 C 1 -0.712 1.206 -0.003 1.00 0.00 +HETATM 7 C 1 -2.224 1.136 -0.009 1.00 0.00 +HETATM 8 C 1 -2.900 2.504 -0.232 1.00 0.00 +HETATM 9 C 1 3.611 1.210 -0.042 1.00 0.00 +HETATM 10 C 1 4.094 0.909 -1.477 1.00 0.00 +HETATM 11 C 1 5.635 0.868 -1.503 1.00 0.00 +HETATM 12 C 1 3.590 1.996 -2.450 1.00 0.00 +HETATM 13 C 1 -2.686 0.573 1.305 1.00 0.00 +HETATM 14 O 1 -3.846 0.297 1.466 1.00 0.00 +HETATM 15 O 1 -1.792 0.321 2.277 1.00 0.00 +HETATM 16 H 1 -0.539 -0.948 -0.004 1.00 0.00 +HETATM 17 H 1 1.943 -0.945 -0.009 1.00 0.00 +HETATM 18 H 1 1.930 3.366 -0.006 1.00 0.00 +HETATM 19 H 1 -0.533 3.371 0.004 1.00 0.00 +HETATM 20 H 1 -2.536 0.461 -0.807 1.00 0.00 +HETATM 21 H 1 -2.546 2.944 -1.165 1.00 0.00 +HETATM 22 H 1 -2.676 3.171 0.600 1.00 0.00 +HETATM 23 H 1 -3.980 2.365 -0.292 1.00 0.00 +HETATM 24 H 1 3.986 0.442 0.635 1.00 0.00 +HETATM 25 H 1 3.990 2.181 0.277 1.00 0.00 +HETATM 26 H 1 3.707 -0.061 -1.792 1.00 0.00 +HETATM 27 H 1 5.991 0.094 -0.823 1.00 0.00 +HETATM 28 H 1 6.034 1.834 -1.192 1.00 0.00 +HETATM 29 H 1 5.978 0.645 -2.513 1.00 0.00 +HETATM 30 H 1 3.941 2.975 -2.122 1.00 0.00 +HETATM 31 H 1 2.500 1.993 -2.477 1.00 0.00 +HETATM 32 H 1 3.970 1.793 -3.451 1.00 0.00 +HETATM 33 H 1 -1.689 -0.648 2.383 1.00 0.00 +CONECT 1 2 2 6 16 +CONECT 2 1 1 3 17 +CONECT 3 2 4 4 9 +CONECT 4 3 3 5 18 +CONECT 5 4 6 6 19 +CONECT 6 1 5 5 7 +CONECT 7 6 8 13 20 +CONECT 8 7 21 22 23 +CONECT 9 3 10 24 25 +CONECT 10 9 11 12 26 +CONECT 11 10 27 28 29 +CONECT 12 10 30 31 32 +CONECT 13 7 14 14 15 +CONECT 14 13 13 +CONECT 15 13 33 +CONECT 16 1 +CONECT 17 2 +CONECT 18 4 +CONECT 19 5 +CONECT 20 7 +CONECT 21 8 +CONECT 22 8 +CONECT 23 8 +CONECT 24 9 +CONECT 25 9 +CONECT 26 10 +CONECT 27 11 +CONECT 28 11 +CONECT 29 11 +CONECT 30 12 +CONECT 31 12 +CONECT 32 12 +CONECT 33 15 +MASTER 0 0 0 0 0 0 0 0 33 0 33 0 +END |