diff test-data/hits-17.sdf @ 0:ad2b25cca758 draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
author bgruening
date Tue, 21 Jul 2020 05:23:57 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/hits-17.sdf	Tue Jul 21 05:23:57 2020 -0400
@@ -0,0 +1,602 @@
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+ 18 17  1  0
+ 15 16  1  0
+ 16 17  1  0
+M  END
+$$$$
+Mpro-x0678_0
+     RDKit          3D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  2  0
+ 14 15  1  0
+M  END
+$$$$
+Mpro-x0874_0
+     RDKit          3D
+
+ 13 14  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  1  0
+M  END
+$$$$
+Mpro-x0946_0
+     RDKit          3D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+  7  8  1  0
+M  END
+$$$$
+Mpro-x0995_0
+     RDKit          3D
+
+  7  7  0  0  0  0  0  0  0  0999 V2000
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+  5  6  1  0
+M  END
+$$$$
+Mpro-x1077_0
+     RDKit          3D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  1  0
+M  END
+$$$$
+Mpro-x1093_0
+     RDKit          3D
+
+ 19 21  0  0  0  0  0  0  0  0999 V2000
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+ 17 18  1  0
+M  END
+$$$$
+Mpro-x1249_0
+     RDKit          3D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+$$$$