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Commit 4ebb31c0 authored by Tobias Schmidt's avatar Tobias Schmidt
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modified sdf bondline testfile

parent db405dee
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modules/io/tests/testfiles/sdf/wrong_bondlinelength.sdf
+ 3
− 3
View file @ 4ebb31c0
...@@ -9,9 +9,9 @@ Simple Ligand ...@@ -9,9 +9,9 @@ Simple Ligand
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0
-1.0000 -1.0000 0.0000 Cl 0 0 0 0 0 0 -1.0000 -1.0000 0.0000 Cl 0 0 0 0 0 0
1 2 2 1 2 2
1 3 1 0 0 0 1 3
1 6 1 0 0 0 1 6
2 4 1 0 0 0 2 4
3 4 1 0 0 0 3 4 1 0 0 0
4 5 3 0 0 0 4 5 3 0 0 0
M END M END
......
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