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source: tests/regression/Selection/Molecules/MoleculeById/post/id2_4_missing.xyz

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Candidate_v1.6.1

Last change on this file was d7cad1, checked in by Frederik Heber <heber@…>, 10 years ago
Extended selection action for Molecule ids to multiple ids.
Property mode set to `100644`
File size: 24.5 KB

Line
1	1023
2	Created by molecuilder for select-molecule-by-id test
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502	H 9.33003 8.57143 1.00857
503	H 9.33003 8.57143 0
504	O 8.57143 8.57143 3.36143
505	H 9.33003 8.57143 3.86571
506	H 9.33003 8.57143 2.85714
507	O 8.57143 8.57143 6.21857
508	H 9.33003 8.57143 6.72285
509	H 9.33003 8.57143 5.71429
510	O 8.57143 8.57143 9.07571
511	H 9.33003 8.57143 9.58
512	H 9.33003 8.57143 8.57143
513	O 8.57143 8.57143 11.9329
514	H 9.33003 8.57143 12.4371
515	H 9.33003 8.57143 11.4286
516	O 8.57143 8.57143 14.79
517	H 9.33003 8.57143 15.2943
518	H 9.33003 8.57143 14.2857
519	O 8.57143 8.57143 17.6471
520	H 9.33003 8.57143 18.1514
521	H 9.33003 8.57143 17.1429
522	O 8.57143 11.4286 0.504284
523	H 9.33003 11.4286 1.00857
524	H 9.33003 11.4286 0
525	O 8.57143 11.4286 3.36143
526	H 9.33003 11.4286 3.86571
527	H 9.33003 11.4286 2.85714
528	O 8.57143 11.4286 6.21857
529	H 9.33003 11.4286 6.72285
530	H 9.33003 11.4286 5.71429
531	O 8.57143 11.4286 9.07571
532	H 9.33003 11.4286 9.58
533	H 9.33003 11.4286 8.57143
534	O 8.57143 11.4286 11.9329
535	H 9.33003 11.4286 12.4371
536	H 9.33003 11.4286 11.4286
537	O 8.57143 11.4286 14.79
538	H 9.33003 11.4286 15.2943
539	H 9.33003 11.4286 14.2857
540	O 8.57143 11.4286 17.6471
541	H 9.33003 11.4286 18.1514
542	H 9.33003 11.4286 17.1429
543	O 8.57143 14.2857 0.504284
544	H 9.33003 14.2857 1.00857
545	H 9.33003 14.2857 0
546	O 8.57143 14.2857 3.36143
547	H 9.33003 14.2857 3.86571
548	H 9.33003 14.2857 2.85714
549	O 8.57143 14.2857 6.21857
550	H 9.33003 14.2857 6.72285
551	H 9.33003 14.2857 5.71429
552	O 8.57143 14.2857 9.07571
553	H 9.33003 14.2857 9.58
554	H 9.33003 14.2857 8.57143
555	O 8.57143 14.2857 11.9329
556	H 9.33003 14.2857 12.4371
557	H 9.33003 14.2857 11.4286
558	O 8.57143 14.2857 14.79
559	H 9.33003 14.2857 15.2943
560	H 9.33003 14.2857 14.2857
561	O 8.57143 14.2857 17.6471
562	H 9.33003 14.2857 18.1514
563	H 9.33003 14.2857 17.1429
564	O 8.57143 17.1429 0.504284
565	H 9.33003 17.1429 1.00857
566	H 9.33003 17.1429 0
567	O 8.57143 17.1429 3.36143
568	H 9.33003 17.1429 3.86571
569	H 9.33003 17.1429 2.85714
570	O 8.57143 17.1429 6.21857
571	H 9.33003 17.1429 6.72285
572	H 9.33003 17.1429 5.71429
573	O 8.57143 17.1429 9.07571
574	H 9.33003 17.1429 9.58
575	H 9.33003 17.1429 8.57143
576	O 8.57143 17.1429 11.9329
577	H 9.33003 17.1429 12.4371
578	H 9.33003 17.1429 11.4286
579	O 8.57143 17.1429 14.79
580	H 9.33003 17.1429 15.2943
581	H 9.33003 17.1429 14.2857
582	O 8.57143 17.1429 17.6471
583	H 9.33003 17.1429 18.1514
584	H 9.33003 17.1429 17.1429
585	O 11.4286 0 0.504284
586	H 12.1872 0 1.00857
587	H 12.1872 0 0
588	O 11.4286 0 3.36143
589	H 12.1872 0 3.86571
590	H 12.1872 0 2.85714
591	O 11.4286 0 6.21857
592	H 12.1872 0 6.72285
593	H 12.1872 0 5.71429
594	O 11.4286 0 9.07571
595	H 12.1872 0 9.58
596	H 12.1872 0 8.57143
597	O 11.4286 0 11.9329
598	H 12.1872 0 12.4371
599	H 12.1872 0 11.4286
600	O 11.4286 0 14.79
601	H 12.1872 0 15.2943
602	H 12.1872 0 14.2857
603	O 11.4286 0 17.6471
604	H 12.1872 0 18.1514
605	H 12.1872 0 17.1429
606	O 11.4286 2.85714 0.504284
607	H 12.1872 2.85714 1.00857
608	H 12.1872 2.85714 0
609	O 11.4286 2.85714 3.36143
610	H 12.1872 2.85714 3.86571
611	H 12.1872 2.85714 2.85714
612	O 11.4286 2.85714 6.21857
613	H 12.1872 2.85714 6.72285
614	H 12.1872 2.85714 5.71429
615	O 11.4286 2.85714 9.07571
616	H 12.1872 2.85714 9.58
617	H 12.1872 2.85714 8.57143
618	O 11.4286 2.85714 11.9329
619	H 12.1872 2.85714 12.4371
620	H 12.1872 2.85714 11.4286
621	O 11.4286 2.85714 14.79
622	H 12.1872 2.85714 15.2943
623	H 12.1872 2.85714 14.2857
624	O 11.4286 2.85714 17.6471
625	H 12.1872 2.85714 18.1514
626	H 12.1872 2.85714 17.1429
627	O 11.4286 5.71429 0.504284
628	H 12.1872 5.71429 1.00857
629	H 12.1872 5.71429 0
630	O 11.4286 5.71429 3.36143
631	H 12.1872 5.71429 3.86571
632	H 12.1872 5.71429 2.85714
633	O 11.4286 5.71429 6.21857
634	H 12.1872 5.71429 6.72285
635	H 12.1872 5.71429 5.71429
636	O 11.4286 5.71429 9.07571
637	H 12.1872 5.71429 9.58
638	H 12.1872 5.71429 8.57143
639	O 11.4286 5.71429 11.9329
640	H 12.1872 5.71429 12.4371
641	H 12.1872 5.71429 11.4286
642	O 11.4286 5.71429 14.79
643	H 12.1872 5.71429 15.2943
644	H 12.1872 5.71429 14.2857
645	O 11.4286 5.71429 17.6471
646	H 12.1872 5.71429 18.1514
647	H 12.1872 5.71429 17.1429
648	O 11.4286 8.57143 0.504284
649	H 12.1872 8.57143 1.00857
650	H 12.1872 8.57143 0
651	O 11.4286 8.57143 3.36143
652	H 12.1872 8.57143 3.86571
653	H 12.1872 8.57143 2.85714
654	O 11.4286 8.57143 6.21857
655	H 12.1872 8.57143 6.72285
656	H 12.1872 8.57143 5.71429
657	O 11.4286 8.57143 9.07571
658	H 12.1872 8.57143 9.58
659	H 12.1872 8.57143 8.57143
660	O 11.4286 8.57143 11.9329
661	H 12.1872 8.57143 12.4371
662	H 12.1872 8.57143 11.4286
663	O 11.4286 8.57143 14.79
664	H 12.1872 8.57143 15.2943
665	H 12.1872 8.57143 14.2857
666	O 11.4286 8.57143 17.6471
667	H 12.1872 8.57143 18.1514
668	H 12.1872 8.57143 17.1429
669	O 11.4286 11.4286 0.504284
670	H 12.1872 11.4286 1.00857
671	H 12.1872 11.4286 0
672	O 11.4286 11.4286 3.36143
673	H 12.1872 11.4286 3.86571
674	H 12.1872 11.4286 2.85714
675	O 11.4286 11.4286 6.21857
676	H 12.1872 11.4286 6.72285
677	H 12.1872 11.4286 5.71429
678	O 11.4286 11.4286 9.07571
679	H 12.1872 11.4286 9.58
680	H 12.1872 11.4286 8.57143
681	O 11.4286 11.4286 11.9329
682	H 12.1872 11.4286 12.4371
683	H 12.1872 11.4286 11.4286
684	O 11.4286 11.4286 14.79
685	H 12.1872 11.4286 15.2943
686	H 12.1872 11.4286 14.2857
687	O 11.4286 11.4286 17.6471
688	H 12.1872 11.4286 18.1514
689	H 12.1872 11.4286 17.1429
690	O 11.4286 14.2857 0.504284
691	H 12.1872 14.2857 1.00857
692	H 12.1872 14.2857 0
693	O 11.4286 14.2857 3.36143
694	H 12.1872 14.2857 3.86571
695	H 12.1872 14.2857 2.85714
696	O 11.4286 14.2857 6.21857
697	H 12.1872 14.2857 6.72285
698	H 12.1872 14.2857 5.71429
699	O 11.4286 14.2857 9.07571
700	H 12.1872 14.2857 9.58
701	H 12.1872 14.2857 8.57143
702	O 11.4286 14.2857 11.9329
703	H 12.1872 14.2857 12.4371
704	H 12.1872 14.2857 11.4286
705	O 11.4286 14.2857 14.79
706	H 12.1872 14.2857 15.2943
707	H 12.1872 14.2857 14.2857
708	O 11.4286 14.2857 17.6471
709	H 12.1872 14.2857 18.1514
710	H 12.1872 14.2857 17.1429
711	O 11.4286 17.1429 0.504284
712	H 12.1872 17.1429 1.00857
713	H 12.1872 17.1429 0
714	O 11.4286 17.1429 3.36143
715	H 12.1872 17.1429 3.86571
716	H 12.1872 17.1429 2.85714
717	O 11.4286 17.1429 6.21857
718	H 12.1872 17.1429 6.72285
719	H 12.1872 17.1429 5.71429
720	O 11.4286 17.1429 9.07571
721	H 12.1872 17.1429 9.58
722	H 12.1872 17.1429 8.57143
723	O 11.4286 17.1429 11.9329
724	H 12.1872 17.1429 12.4371
725	H 12.1872 17.1429 11.4286
726	O 11.4286 17.1429 14.79
727	H 12.1872 17.1429 15.2943
728	H 12.1872 17.1429 14.2857
729	O 11.4286 17.1429 17.6471
730	H 12.1872 17.1429 18.1514
731	H 12.1872 17.1429 17.1429
732	O 14.2857 0 0.504284
733	H 15.0443 0 1.00857
734	H 15.0443 0 0
735	O 14.2857 0 3.36143
736	H 15.0443 0 3.86571
737	H 15.0443 0 2.85714
738	O 14.2857 0 6.21857
739	H 15.0443 0 6.72285
740	H 15.0443 0 5.71429
741	O 14.2857 0 9.07571
742	H 15.0443 0 9.58
743	H 15.0443 0 8.57143
744	O 14.2857 0 11.9329
745	H 15.0443 0 12.4371
746	H 15.0443 0 11.4286
747	O 14.2857 0 14.79
748	H 15.0443 0 15.2943
749	H 15.0443 0 14.2857
750	O 14.2857 0 17.6471
751	H 15.0443 0 18.1514
752	H 15.0443 0 17.1429
753	O 14.2857 2.85714 0.504284
754	H 15.0443 2.85714 1.00857
755	H 15.0443 2.85714 0
756	O 14.2857 2.85714 3.36143
757	H 15.0443 2.85714 3.86571
758	H 15.0443 2.85714 2.85714
759	O 14.2857 2.85714 6.21857
760	H 15.0443 2.85714 6.72285
761	H 15.0443 2.85714 5.71429
762	O 14.2857 2.85714 9.07571
763	H 15.0443 2.85714 9.58
764	H 15.0443 2.85714 8.57143
765	O 14.2857 2.85714 11.9329
766	H 15.0443 2.85714 12.4371
767	H 15.0443 2.85714 11.4286
768	O 14.2857 2.85714 14.79
769	H 15.0443 2.85714 15.2943
770	H 15.0443 2.85714 14.2857
771	O 14.2857 2.85714 17.6471
772	H 15.0443 2.85714 18.1514
773	H 15.0443 2.85714 17.1429
774	O 14.2857 5.71429 0.504284
775	H 15.0443 5.71429 1.00857
776	H 15.0443 5.71429 0
777	O 14.2857 5.71429 3.36143
778	H 15.0443 5.71429 3.86571
779	H 15.0443 5.71429 2.85714
780	O 14.2857 5.71429 6.21857
781	H 15.0443 5.71429 6.72285
782	H 15.0443 5.71429 5.71429
783	O 14.2857 5.71429 9.07571
784	H 15.0443 5.71429 9.58
785	H 15.0443 5.71429 8.57143
786	O 14.2857 5.71429 11.9329
787	H 15.0443 5.71429 12.4371
788	H 15.0443 5.71429 11.4286
789	O 14.2857 5.71429 14.79
790	H 15.0443 5.71429 15.2943
791	H 15.0443 5.71429 14.2857
792	O 14.2857 5.71429 17.6471
793	H 15.0443 5.71429 18.1514
794	H 15.0443 5.71429 17.1429
795	O 14.2857 8.57143 0.504284
796	H 15.0443 8.57143 1.00857
797	H 15.0443 8.57143 0
798	O 14.2857 8.57143 3.36143
799	H 15.0443 8.57143 3.86571
800	H 15.0443 8.57143 2.85714
801	O 14.2857 8.57143 6.21857
802	H 15.0443 8.57143 6.72285
803	H 15.0443 8.57143 5.71429
804	O 14.2857 8.57143 9.07571
805	H 15.0443 8.57143 9.58
806	H 15.0443 8.57143 8.57143
807	O 14.2857 8.57143 11.9329
808	H 15.0443 8.57143 12.4371
809	H 15.0443 8.57143 11.4286
810	O 14.2857 8.57143 14.79
811	H 15.0443 8.57143 15.2943
812	H 15.0443 8.57143 14.2857
813	O 14.2857 8.57143 17.6471
814	H 15.0443 8.57143 18.1514
815	H 15.0443 8.57143 17.1429
816	O 14.2857 11.4286 0.504284
817	H 15.0443 11.4286 1.00857
818	H 15.0443 11.4286 0
819	O 14.2857 11.4286 3.36143
820	H 15.0443 11.4286 3.86571
821	H 15.0443 11.4286 2.85714
822	O 14.2857 11.4286 6.21857
823	H 15.0443 11.4286 6.72285
824	H 15.0443 11.4286 5.71429
825	O 14.2857 11.4286 9.07571
826	H 15.0443 11.4286 9.58
827	H 15.0443 11.4286 8.57143
828	O 14.2857 11.4286 11.9329
829	H 15.0443 11.4286 12.4371
830	H 15.0443 11.4286 11.4286
831	O 14.2857 11.4286 14.79
832	H 15.0443 11.4286 15.2943
833	H 15.0443 11.4286 14.2857
834	O 14.2857 11.4286 17.6471
835	H 15.0443 11.4286 18.1514
836	H 15.0443 11.4286 17.1429
837	O 14.2857 14.2857 0.504284
838	H 15.0443 14.2857 1.00857
839	H 15.0443 14.2857 0
840	O 14.2857 14.2857 3.36143
841	H 15.0443 14.2857 3.86571
842	H 15.0443 14.2857 2.85714
843	O 14.2857 14.2857 6.21857
844	H 15.0443 14.2857 6.72285
845	H 15.0443 14.2857 5.71429
846	O 14.2857 14.2857 9.07571
847	H 15.0443 14.2857 9.58
848	H 15.0443 14.2857 8.57143
849	O 14.2857 14.2857 11.9329
850	H 15.0443 14.2857 12.4371
851	H 15.0443 14.2857 11.4286
852	O 14.2857 14.2857 14.79
853	H 15.0443 14.2857 15.2943
854	H 15.0443 14.2857 14.2857
855	O 14.2857 14.2857 17.6471
856	H 15.0443 14.2857 18.1514
857	H 15.0443 14.2857 17.1429
858	O 14.2857 17.1429 0.504284
859	H 15.0443 17.1429 1.00857
860	H 15.0443 17.1429 0
861	O 14.2857 17.1429 3.36143
862	H 15.0443 17.1429 3.86571
863	H 15.0443 17.1429 2.85714
864	O 14.2857 17.1429 6.21857
865	H 15.0443 17.1429 6.72285
866	H 15.0443 17.1429 5.71429
867	O 14.2857 17.1429 9.07571
868	H 15.0443 17.1429 9.58
869	H 15.0443 17.1429 8.57143
870	O 14.2857 17.1429 11.9329
871	H 15.0443 17.1429 12.4371
872	H 15.0443 17.1429 11.4286
873	O 14.2857 17.1429 14.79
874	H 15.0443 17.1429 15.2943
875	H 15.0443 17.1429 14.2857
876	O 14.2857 17.1429 17.6471
877	H 15.0443 17.1429 18.1514
878	H 15.0443 17.1429 17.1429
879	O 17.1429 0 0.504284
880	H 17.9015 0 1.00857
881	H 17.9015 0 0
882	O 17.1429 0 3.36143
883	H 17.9015 0 3.86571
884	H 17.9015 0 2.85714
885	O 17.1429 0 6.21857
886	H 17.9015 0 6.72285
887	H 17.9015 0 5.71429
888	O 17.1429 0 9.07571
889	H 17.9015 0 9.58
890	H 17.9015 0 8.57143
891	O 17.1429 0 11.9329
892	H 17.9015 0 12.4371
893	H 17.9015 0 11.4286
894	O 17.1429 0 14.79
895	H 17.9015 0 15.2943
896	H 17.9015 0 14.2857
897	O 17.1429 0 17.6471
898	H 17.9015 0 18.1514
899	H 17.9015 0 17.1429
900	O 17.1429 2.85714 0.504284
901	H 17.9015 2.85714 1.00857
902	H 17.9015 2.85714 0
903	O 17.1429 2.85714 3.36143
904	H 17.9015 2.85714 3.86571
905	H 17.9015 2.85714 2.85714
906	O 17.1429 2.85714 6.21857
907	H 17.9015 2.85714 6.72285
908	H 17.9015 2.85714 5.71429
909	O 17.1429 2.85714 9.07571
910	H 17.9015 2.85714 9.58
911	H 17.9015 2.85714 8.57143
912	O 17.1429 2.85714 11.9329
913	H 17.9015 2.85714 12.4371
914	H 17.9015 2.85714 11.4286
915	O 17.1429 2.85714 14.79
916	H 17.9015 2.85714 15.2943
917	H 17.9015 2.85714 14.2857
918	O 17.1429 2.85714 17.6471
919	H 17.9015 2.85714 18.1514
920	H 17.9015 2.85714 17.1429
921	O 17.1429 5.71429 0.504284
922	H 17.9015 5.71429 1.00857
923	H 17.9015 5.71429 0
924	O 17.1429 5.71429 3.36143
925	H 17.9015 5.71429 3.86571
926	H 17.9015 5.71429 2.85714
927	O 17.1429 5.71429 6.21857
928	H 17.9015 5.71429 6.72285
929	H 17.9015 5.71429 5.71429
930	O 17.1429 5.71429 9.07571
931	H 17.9015 5.71429 9.58
932	H 17.9015 5.71429 8.57143
933	O 17.1429 5.71429 11.9329
934	H 17.9015 5.71429 12.4371
935	H 17.9015 5.71429 11.4286
936	O 17.1429 5.71429 14.79
937	H 17.9015 5.71429 15.2943
938	H 17.9015 5.71429 14.2857
939	O 17.1429 5.71429 17.6471
940	H 17.9015 5.71429 18.1514
941	H 17.9015 5.71429 17.1429
942	O 17.1429 8.57143 0.504284
943	H 17.9015 8.57143 1.00857
944	H 17.9015 8.57143 0
945	O 17.1429 8.57143 3.36143
946	H 17.9015 8.57143 3.86571
947	H 17.9015 8.57143 2.85714
948	O 17.1429 8.57143 6.21857
949	H 17.9015 8.57143 6.72285
950	H 17.9015 8.57143 5.71429
951	O 17.1429 8.57143 9.07571
952	H 17.9015 8.57143 9.58
953	H 17.9015 8.57143 8.57143
954	O 17.1429 8.57143 11.9329
955	H 17.9015 8.57143 12.4371
956	H 17.9015 8.57143 11.4286
957	O 17.1429 8.57143 14.79
958	H 17.9015 8.57143 15.2943
959	H 17.9015 8.57143 14.2857
960	O 17.1429 8.57143 17.6471
961	H 17.9015 8.57143 18.1514
962	H 17.9015 8.57143 17.1429
963	O 17.1429 11.4286 0.504284
964	H 17.9015 11.4286 1.00857
965	H 17.9015 11.4286 0
966	O 17.1429 11.4286 3.36143
967	H 17.9015 11.4286 3.86571
968	H 17.9015 11.4286 2.85714
969	O 17.1429 11.4286 6.21857
970	H 17.9015 11.4286 6.72285
971	H 17.9015 11.4286 5.71429
972	O 17.1429 11.4286 9.07571
973	H 17.9015 11.4286 9.58
974	H 17.9015 11.4286 8.57143
975	O 17.1429 11.4286 11.9329
976	H 17.9015 11.4286 12.4371
977	H 17.9015 11.4286 11.4286
978	O 17.1429 11.4286 14.79
979	H 17.9015 11.4286 15.2943
980	H 17.9015 11.4286 14.2857
981	O 17.1429 11.4286 17.6471
982	H 17.9015 11.4286 18.1514
983	H 17.9015 11.4286 17.1429
984	O 17.1429 14.2857 0.504284
985	H 17.9015 14.2857 1.00857
986	H 17.9015 14.2857 0
987	O 17.1429 14.2857 3.36143
988	H 17.9015 14.2857 3.86571
989	H 17.9015 14.2857 2.85714
990	O 17.1429 14.2857 6.21857
991	H 17.9015 14.2857 6.72285
992	H 17.9015 14.2857 5.71429
993	O 17.1429 14.2857 9.07571
994	H 17.9015 14.2857 9.58
995	H 17.9015 14.2857 8.57143
996	O 17.1429 14.2857 11.9329
997	H 17.9015 14.2857 12.4371
998	H 17.9015 14.2857 11.4286
999	O 17.1429 14.2857 14.79
1000	H 17.9015 14.2857 15.2943
1001	H 17.9015 14.2857 14.2857
1002	O 17.1429 14.2857 17.6471
1003	H 17.9015 14.2857 18.1514
1004	H 17.9015 14.2857 17.1429
1005	O 17.1429 17.1429 0.504284
1006	H 17.9015 17.1429 1.00857
1007	H 17.9015 17.1429 0
1008	O 17.1429 17.1429 3.36143
1009	H 17.9015 17.1429 3.86571
1010	H 17.9015 17.1429 2.85714
1011	O 17.1429 17.1429 6.21857
1012	H 17.9015 17.1429 6.72285
1013	H 17.9015 17.1429 5.71429
1014	O 17.1429 17.1429 9.07571
1015	H 17.9015 17.1429 9.58
1016	H 17.9015 17.1429 8.57143
1017	O 17.1429 17.1429 11.9329
1018	H 17.9015 17.1429 12.4371
1019	H 17.9015 17.1429 11.4286
1020	O 17.1429 17.1429 14.79
1021	H 17.9015 17.1429 15.2943
1022	H 17.9015 17.1429 14.2857
1023	O 17.1429 17.1429 17.6471
1024	H 17.9015 17.1429 18.1514
1025	H 17.9015 17.1429 17.1429

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