From: Stefan K. <sh...@us...> - 2005-10-17 15:13:35
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Update of /cvsroot/cdk/cdk/data/mdl In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv373/data/mdl Added Files: bug1328739.mol Log Message: test case --- NEW FILE: bug1328739.mol --- Marvin 10130511332D 0 0 0 0 0 999 V3000 M V30 BEGIN CTAB M V30 COUNTS 14 15 0 0 0 M V30 BEGIN ATOM M V30 1 C -0.7 1.365 0 0 M V30 2 C -2.0337 0.595 0 0 M V30 3 C -2.0337 -0.945 0 0 M V30 4 C -0.7 -1.715 0 0 M V30 5 C 0.6337 0.595 0 0 M V30 6 C 0.6337 -0.945 0 0 M V30 7 C 1.9673 -1.715 0 0 M V30 8 C 3.3009 0.595 0 0 CFG=3 M V30 9 C 3.3009 -0.945 0 0 M V30 10 C 4.3899 1.684 0 0 CFG=3 M V30 11 C 3.9913 3.1715 0 0 M V30 12 C 5.0803 4.2604 0 0 M V30 13 C 5.8774 1.2854 0 0 M V30 14 N 6.276 -0.2021 0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 2 1 5 M V30 3 2 2 3 M V30 4 1 3 4 M V30 5 2 4 6 M V30 6 1 5 8 M V30 7 1 6 5 M V30 8 1 7 6 M V30 9 1 7 9 M V30 10 1 8 9 M V30 11 1 8 10 M V30 12 1 10 11 M V30 13 1 11 12 M V30 14 1 10 13 M V30 15 1 13 14 M V30 END BOND M V30 END CTAB M END |