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diff test-data/urea.pdb @ 0:0b8a0ce446f5 draft

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
author chemteam
date Mon, 08 Oct 2018 05:31:29 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/urea.pdb	Mon Oct 08 05:31:29 2018 -0400
@@ -0,0 +1,9 @@
+HEADER
+HETATM    1  C     2    2        0.000   0.000   1.400
+HETATM    2  N     2    2       -1.256   0.000   2.125
+HETATM    3  O     2    2        0.000   0.000   0.000
+HETATM    4  N     2    2        1.256   0.000   2.125
+HETATM    5  H     2    2        1.072   0.000   3.116
+HETATM    6  H     2    2        2.252   0.000   1.968
+HETATM    7  H     2    2       -1.072   0.000   3.116
+HETATM    8  H     2    2       -2.252   0.000   1.968