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Another MOL file with query bond types

Signed-off-by: Rajarshi Guha <rajarshi.guha@gmail.com>
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mrynbeek authored and rajarshi committed Jan 10, 2011
1 parent b0227ba commit b6bf3b50a7d34e361d9d5b164b168fb1558d26db
Showing with 29 additions and 0 deletions.
  1. +29 −0 src/test/data/mdl/chebi.querybond.51736.mol
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Marvin 02030910562D

9 15 0 0 0 0 999 V2000
0.0000 1.7000 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 -0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4125 -0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1383 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1156 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4239 0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4011 0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3 4 6 0 0 0 0
2 5 1 0 0 0 0
5 6 1 0 0 0 0
4 7 6 0 0 0 0
6 8 6 0 0 0 0
7 9 6 0 0 0 0
9 8 6 0 0 0 0
2 3 6 0 0 0 0
1 2 1 0 0 0 0
1 8 1 0 0 0 0
1 9 1 0 0 0 0
1 4 1 0 0 0 0
1 7 1 0 0 0 0
1 6 1 0 0 0 0
1 3 1 0 0 0 0
M END

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