diff test-data/sulfonyl_chloride.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/sulfonyl_chloride.sdf	Tue Jul 21 05:23:57 2020 -0400
@@ -0,0 +1,30 @@
+
+     RDKit          
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
+    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  3  0
+  2  3  1  0
+  3  4  2  0
+  4  5  1  0
+  5  6  2  0
+  6  7  1  0
+  7  8  2  0
+  8  9  1  0
+  9 10  2  0
+  9 11  2  0
+  9 12  1  0
+  8  3  1  0
+M  END
+$$$$
\ No newline at end of file