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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
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