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Diffstat (limited to 'hacks/images/molecules/chlordecone.pdb')
| -rw-r--r-- | hacks/images/molecules/chlordecone.pdb | 49 |
1 files changed, 49 insertions, 0 deletions
diff --git a/hacks/images/molecules/chlordecone.pdb b/hacks/images/molecules/chlordecone.pdb new file mode 100644 index 0000000..c49e754 --- /dev/null +++ b/hacks/images/molecules/chlordecone.pdb @@ -0,0 +1,49 @@ +HEADER Chlordecone: Kepone, an insecticide and fungicide +COMPND al1113 +AUTHOR Created by Dave Woodcock at Okanagan University College +AUTHOR email:woodcock@okanagan.bc.ca +AUTHOR Date revised: Tue Aug 29 17:54:52 2000 GENERATED BY BABEL 1.6 +HETATM 1 C 1 0.000 0.000 0.000 1.00 0.00 +HETATM 2 O 1 1.206 0.000 0.000 1.00 0.00 +HETATM 3 C 1 -0.741 1.303 0.000 1.00 0.00 +HETATM 4 C 1 -0.875 1.738 -1.482 1.00 0.00 +HETATM 5 C 1 -0.879 0.377 -2.249 1.00 0.00 +HETATM 6 C 1 -0.745 -0.666 -1.117 1.00 0.00 +HETATM 7 C 1 -2.247 0.958 -0.112 1.00 0.00 +HETATM 8 C 1 -2.380 1.999 -1.247 1.00 0.00 +HETATM 9 C 1 -2.237 -0.385 -0.887 1.00 0.00 +HETATM 10 C 1 -2.379 0.045 -2.350 1.00 0.00 +HETATM 11 C 1 -3.162 1.358 -2.394 1.00 0.00 +HETATM 12 Cl 1 0.142 3.061 -2.080 1.00 0.00 +HETATM 13 Cl 1 -0.299 2.574 1.159 1.00 0.00 +HETATM 14 Cl 1 -2.803 3.653 -0.734 1.00 0.00 +HETATM 15 Cl 1 -3.272 1.132 1.330 1.00 0.00 +HETATM 16 Cl 1 -3.275 -1.723 -0.285 1.00 0.00 +HETATM 17 Cl 1 -4.883 1.128 -1.986 1.00 0.00 +HETATM 18 Cl 1 -2.936 2.229 -3.931 1.00 0.00 +HETATM 19 Cl 1 -2.805 -1.246 -3.509 1.00 0.00 +HETATM 20 Cl 1 0.141 0.211 -3.696 1.00 0.00 +HETATM 21 Cl 1 -0.301 -2.317 -1.612 1.00 0.00 +CONECT 1 2 2 3 6 +CONECT 2 1 1 +CONECT 3 1 4 7 13 +CONECT 4 3 5 8 12 +CONECT 5 4 6 10 20 +CONECT 6 1 5 9 21 +CONECT 7 3 8 9 15 +CONECT 8 4 7 11 14 +CONECT 9 6 7 10 16 +CONECT 10 5 9 11 19 +CONECT 11 8 10 17 18 +CONECT 12 4 +CONECT 13 3 +CONECT 14 8 +CONECT 15 7 +CONECT 16 9 +CONECT 17 11 +CONECT 18 11 +CONECT 19 10 +CONECT 20 5 +CONECT 21 6 +MASTER 0 0 0 0 0 0 0 0 21 0 21 0 +END |