diff test-data/ligands.sdf @ 10:3d91d24e89c5 draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
author bgruening
date Wed, 25 Mar 2020 16:43:26 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/ligands.sdf	Wed Mar 25 16:43:26 2020 -0400
@@ -0,0 +1,348 @@
+C[C@H](NS(C)(=O)=O)c1ccccn1
+  rDOCK(R)          3D
+libRbt.so/2013.1/901 2013/11/27
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+$$$$
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+$$$$
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+M  END
+$$$$
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+M  END
+$$$$
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+libRbt.so/2013.1/901 2013/11/27
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+M  END
+$$$$
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+M  END
+$$$$
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+M  END
+$$$$
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+$$$$
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+$$$$
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+M  END
+$$$$
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+M  END
+$$$$