atom list starts with C Mrv2007 05282011072D 0 0 0 0 0 999 V3000 M V30 BEGIN CTAB M V30 COUNTS 5 5 0 0 0 M V30 BEGIN ATOM M V30 1 [C,N,O] -4.9583 2.185 0 0 M V30 2 C -6.2042 1.2798 0 0 M V30 3 C -5.7283 -0.1848 0 0 M V30 4 C -4.1883 -0.1848 0 0 M V30 5 C -3.7125 1.2798 0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 1 3 4 M V30 3 1 1 5 M V30 4 2 2 3 M V30 5 2 4 5 M V30 END BOND M V30 END CTAB M END $$$$ atom list starts with N Mrv2007 05282011072D 0 0 0 0 0 999 V3000 M V30 BEGIN CTAB M V30 COUNTS 5 5 0 0 0 M V30 BEGIN ATOM M V30 1 [N,C,O] -4.9583 2.185 0 0 M V30 2 C -6.2042 1.2798 0 0 M V30 3 C -5.7283 -0.1848 0 0 M V30 4 C -4.1883 -0.1848 0 0 M V30 5 C -3.7125 1.2798 0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 1 3 4 M V30 3 1 1 5 M V30 4 2 2 3 M V30 5 2 4 5 M V30 END BOND M V30 END CTAB M END $$$$ single member atom list Mrv2007 05282011072D 0 0 0 0 0 999 V3000 M V30 BEGIN CTAB M V30 COUNTS 5 5 0 0 0 M V30 BEGIN ATOM M V30 1 [C] -4.9583 2.185 0 0 M V30 2 C -6.2042 1.2798 0 0 M V30 3 C -5.7283 -0.1848 0 0 M V30 4 C -4.1883 -0.1848 0 0 M V30 5 C -3.7125 1.2798 0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 M V30 2 1 3 4 M V30 3 1 1 5 M V30 4 2 2 3 M V30 5 2 4 5 M V30 END BOND M V30 END CTAB M END $$$$