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Diffstat (limited to 'hacks/images/molecules/dynamite.pdb')
| -rw-r--r-- | hacks/images/molecules/dynamite.pdb | 47 |
1 files changed, 47 insertions, 0 deletions
diff --git a/hacks/images/molecules/dynamite.pdb b/hacks/images/molecules/dynamite.pdb new file mode 100644 index 0000000..b16dc64 --- /dev/null +++ b/hacks/images/molecules/dynamite.pdb @@ -0,0 +1,47 @@ +HEADER Trinitroglycerin: Dynamite, an explosive +COMPND jb09trin +AUTHOR Created by Dave Woodcock at Okanagan University College +AUTHOR email:woodcock@okanagan.bc.ca +AUTHOR Date revised: Tue Sep 19 21:46:02 2000 GENERATED BY BABEL 1.6 +HETATM 1 C 1 0.000 0.000 0.000 1.00 0.00 +HETATM 2 C 1 1.540 0.000 0.000 1.00 0.00 +HETATM 3 C 1 2.063 1.449 0.000 1.00 0.00 +HETATM 4 O 1 3.467 1.429 0.127 1.00 0.00 +HETATM 5 N 1 4.015 2.776 -0.152 1.00 0.00 +HETATM 6 O 1 4.998 3.268 0.635 1.00 0.00 +HETATM 7 O 1 3.773 3.351 -1.351 1.00 0.00 +HETATM 8 O 1 2.004 -0.755 1.098 1.00 0.00 +HETATM 9 N 1 2.641 -0.291 2.107 1.00 0.00 +HETATM 10 O 1 3.090 -1.154 3.047 1.00 0.00 +HETATM 11 O 1 2.879 1.030 2.268 1.00 0.00 +HETATM 12 O 1 -0.458 -1.330 -0.079 1.00 0.00 +HETATM 13 N 1 -1.911 -1.339 -0.361 1.00 0.00 +HETATM 14 O 1 -2.745 -2.029 0.450 1.00 0.00 +HETATM 15 O 1 -2.357 -0.902 -1.560 1.00 0.00 +HETATM 16 H 1 -0.365 0.561 -0.860 1.00 0.00 +HETATM 17 H 1 -0.369 0.458 0.918 1.00 0.00 +HETATM 18 H 1 1.886 -0.486 -0.912 1.00 0.00 +HETATM 19 H 1 1.620 2.013 0.821 1.00 0.00 +HETATM 20 H 1 1.793 1.925 -0.943 1.00 0.00 +CONECT 1 2 12 16 17 +CONECT 2 1 3 8 18 +CONECT 3 2 4 19 20 +CONECT 4 3 5 +CONECT 5 4 6 7 +CONECT 6 5 +CONECT 7 5 +CONECT 8 2 9 +CONECT 9 8 10 11 +CONECT 10 9 +CONECT 11 9 +CONECT 12 1 13 +CONECT 13 12 14 15 +CONECT 14 13 +CONECT 15 13 +CONECT 16 1 +CONECT 17 1 +CONECT 18 2 +CONECT 19 3 +CONECT 20 3 +MASTER 0 0 0 0 0 0 0 0 20 0 20 0 +END |