Compound Id	KappaShapeIndices [Kier1]
26325084	43.0
26325083	39.0
18019	21.0
8521	21.0
26325082	35.0
10449	22.042
61149	12.0
2056044	12.0
26325081	31.0
26824	17.0
8520	17.0
10451	18.05
2041618	16.0
6191	8.0
26325080	27.0
76894	15.0
16425	7.0
6153	5.0
10784857	16.056
38403	10.0
14021447	23.0
9256	7.0
23101	13.0
10675065	9.0
10652594	13.067
10696	14.063
62827	8.0
11434292	12.0
21106179	4.0
122090	14.0
11557190	19.0
9095782	8.0
12577	6.0
9286	6.0
61346	9.0
6190	8.0
6270	13.0
9484	5.0
6105	3.0
16841	7.0
4927801	28.033
109705	16.056
9088156	16.0
56144	10.0
23150	9.0
108106	22.042
78828	15.0
6128	4.0
10452	10.083
10606755	10.0
3631	10.0
69569	13.0
15413	11.0
66656	8.0
9411	9.0
454209	6.0
10733068	23.04
17619	7.0
13837650	4.0
13853215	8.0
9392	8.0
66567	11.0
18971812	8.0
66655	10.0
68328	11.0
13299573	9.0
56117	9.0
12161	9.0
107412	8.0
67414	16.056
13803	8.0
14441700	6.0
10756390	18.05
68224	18.05
61213	6.0
9254	7.0
9016	7.0
73583	8.0
14998	7.0
2018165	5.0
6148	5.0
69914	13.067
11671339	13.067
29040	7.0
67991	9.0
454215	7.0
62826	8.0
7626	7.0
59573	7.0
6156	5.0
10106	14.0
10801109	15.0
512621	9.0
12933	14.0
11996	7.0
13835836	8.0
9633	9.0
15789876	20.0
18688	9.0
12586	14.0
71433	6.0
68503	9.0
937	0.0
692	2.0
23208	3.0
291	0.0
274	3.0
6084	2.0
6132	4.0
7956	3.0
6094	3.0
11749	6.0
7555	4.0
6120	4.0
7712	5.0
6308	5.0
9646	5.0
10781	8.0
15802	9.0
17976	9.0
7767	6.0
7604	6.0
7010	6.0
6163	6.0
6340	6.0
7671	10.0
9377	7.0
8560	7.0
11094	7.0
11023	7.0
11055	7.0
10786	7.0
7619	7.0
10755	7.0
11551	7.0
349	8.0
11035	8.0
11104	8.0
10795	8.0
10445	8.0
8569	9.0
11841	9.0
7073	10.0
123860	10.0
7849	9.0
17558	9.0
13439	9.0
13402	9.0
6287	11.0
10227261	16.0
14840	10.0
13448	10.0
12220	11.0
13619	11.0
7890	12.0
11882	13.0
11883	14.0
10540	16.0
7929	20.0
11897	21.0
11899	22.0
12017	23.0
12072	24.0
11900	25.0
11901	26.0
11146	27.0
11902	28.0
10542	32.0
11906	36.0
7823	7.0
13835376	8.0
55130	9.0
6188	8.0
127750	8.0
14299946	14.063
30713	6.0
14694	6.0
99596	7.0
11849	7.0
7757	14.0
21106169	6.0
20545	20.0
10441	4.0
14672	6.0
7511	12.0
10446	8.0
7657	9.0
22453	9.0
6151	5.0
7509	11.0
7872	12.0
10433	9.0
55084	11.0
7875	14.0
2062437	7.0
7065	8.0
11992	8.0
7913	16.0
10325078	8.0
92731	9.0
14256731	14.0
3168	5.0
11153	3.0
29005	10.0
7472	8.0
11207996	8.0
7694	10.0
11833	6.0
16388	16.0
455420	9.0
62249	8.0
10420	9.0
9243	3.0
55188	7.0
7482	9.0
11716	10.0
29016	9.0
7670	10.0
7340	13.0
7747	8.0
7624	7.0
7627	7.0
8568	10.0
14846	12.0
11045	9.0
11228	5.0
10709	5.0
109838	7.0
7478	8.0
10765	5.0
13849665	21.0
7800	11.0
11148	2.0
11843	9.0
923	3.0
7475	8.0
12201	6.0
7515	8.0
29012	8.0
10797	8.0
11109	6.0
7538	10.0
7536	9.0
12972	12.0
61266	18.340
24142	15.0
14829	5.0
23055	6.0
13622	14.0
7463	7.0
10571	7.0
16180	13.0
13836549	10.083
7891	12.0
12446	6.0
55123	9.0
10614293	8.0
29025	9.0
11755	6.0
12635	11.0
7706	7.0
7761	8.0
11121	7.0
7713	5.0
12809	10.0
11230	5.0
7833	8.0
10492	7.0
13837190	5.0
13839109	9.0
7556	4.0
12012	8.0
8158	7.0
66675	8.0
7871	12.0
3441	7.0
7954	3.0
9976	10.0
21153	13.0
14688	16.0
9391	7.0
8525	6.0
7514	8.0
11680	7.0
6176	7.0
6085	2.0
63631	6.0
13865630	12.0
7856	9.0
11706	8.0
7802	9.0
12218	11.0
56232	12.0
3973	8.0
6130	4.0
7534	9.0
10788	7.0
7621	7.0
10101	8.0
28986	8.0
13839575	9.0
12632	10.0
13836589	6.0
83734	7.0
9253	7.0
215929	9.0
10791	7.0
555074	7.0
7957	4.0
11125	7.0
7760	8.0
4516601	8.0
8562	7.0
2863	12.0
56442	4.0
4483639	5.0
11919	9.0
10653	6.0
8329688	6.0
7782	6.0
4516599	8.0
16387	13.067
10777	6.0
4512361	8.0
11095	7.0
11025	7.0
26325086	7.111
21106173	7.111
13835706	15.0
441	9.0
2282428	7.0
9251	7.0
13850879	19.0
217	0.0
1114	4.0
7838	8.0
15486	11.0
56559	19.0
11898	21.0
4483638	5.0
6335	5.0
4449912	4.0
11526	6.0
6311	5.0
10054	5.0
7081	7.0
7607	6.0
7074	10.0
12456	10.0
72522	20.0
6313	5.0
7817	7.0
4512642	8.0
7928	19.0
7734	5.0
5949	7.0
62632	17.0
14348	18.0
7803	9.0
7076	10.0
78998	16.0
17880	9.0
370	10.0
29029	10.0
11884	14.0
2581	17.0
16177	13.0
7730	5.0
13866746	9.091
7016	6.0
15853	12.0
11864	8.0
9053802	15.0
21106586	10.0
67360	11.0
63863	9.0
11891	16.0
7732	5.0
18920	9.0
10113	5.0
11866	8.0
15846	10.0
11845	7.0
15954	8.0
11819	8.0
7566	4.0
29026	9.0
7772	6.0
11739	8.0
7917	15.0
6321	5.0
12209	6.0
11846	7.0
7622	7.0
11861	10.0
15016	19.0
11056	7.0
7915	14.0
23255	5.0
10787	7.0
123993	9.0
55090	6.0
11806	5.0
7630	7.0
8552	8.0
68179	9.0
7901	13.0
6121	4.0
7770	6.0
7558	4.0
11036	8.0
10001	7.0
7064	8.0
175	4.0
6146	5.0
6649	8.0
11029	8.0
6123	4.0
7892	12.0
8576	11.0
6095	3.0
9461	8.0
14692	10.0
11099	5.0
11193	8.0
256	5.0
11794	7.0
7851	9.0
15387	10.0
8012	7.0
7717	5.0
11732	7.0
10511	8.0
654	3.0
6315	5.0
6086	2.0
99440	8.0
11194	8.0
455353	9.0
11110	6.0
13848341	10.0
10265264	6.125
7850	9.0
7882	11.0
7577	4.0
29000	6.0
8574	10.0
11239	6.0
6165	6.0
11865	8.0
21011	6.0
4366810	11.0
512	4.0
11793	7.0
7811	7.0
7835	8.0
11216	8.0
13862665	7.0
932	9.0
22814	0.0
6341	6.0
11678	7.0
11543	8.0
62230	9.0
7533	9.0
13836399	8.0
10526	7.0
10422	10.0
12069	9.0
59483	10.083
13255	5.143
10179173	6.125
7701	7.0
6149	5.0
10790	7.0
71430	7.111
120464	7.0
172	3.0
11180	7.0
13865426	9.0
7434	9.0
259	6.0
7714	5.0
10512	6.0
7812	7.0
7769	6.0
7459	7.0
11024	7.0
7837	8.0
3644	4.0
16778	7.0
7705	7.0
191367	8.0
748	2.0
5091	20.0
10437	4.0
387	6.0
6312	5.0
6320	5.0
10947	6.0
6040	6.0
8398	6.0
960	18.0
6164	6.0
18410	8.1
7546	3.2
11756	6.0
7616	6.0
258	5.0
7716	5.0
7564	4.0
7024	4.167
7090	8.1
15438	6.125
11699	9.0
16791	8.0
6097	3.0
11799	7.0
6187	8.0
21800	6.125
18717	8.0
13837797	7.0
16641	3.0
10205670	5.0
12442	4.0
6186	8.0
60329	6.0
7790	4.167
1005	5.0
11210	8.0
6101	3.0
1004	4.0
2340753	6.0
10325184	6.0
24590970	7.0
11695	8.0
6102	3.0
13836591	6.0
7028	4.167
7615	6.0
13884973	8.0
7674	5.143
6406	7.0
682	3.0
13874867	8.0
10710415	9.0
6089	2.0
6087	2.0
6098	3.0
7733	5.0
9990	4.0
11727	4.0
7600	12.0
8896	3.2
7466	7.0
14751	6.125
1609	6.0
171	4.0
7727	5.0
71628	9.0
22408	0.0
7728	5.0
6338	5.0
13811	12.0
13871489	14.0
864	2.0
220998	13.0
221117	6.125
15765	6.125
11647	8.1
7506	11.0
7737	3.2
5439	6.0
7003	9.0
6322	5.0
13867413	7.0
553171	10.0
11525	6.0
8554	4.167
13571291	4.0
12066	3.2
7703	7.0
11265	9.0
12954	11.0
13229	11.0
59577	9.0
10053	5.0
10018	4.167
7787	4.167
26765	7.0
192642	7.0
11788	5.143
63156	7.0
122446	8.0
21181	8.0
26325090	10.0
13836520	6.125
6135	4.0
6309	5.0
12626	6.0
11632	9.0
9994	2.25
7636	5.143
13854944	6.0
7557	4.0
6125	4.0
120621	7.0
4449	6.125
55205	8.0
12445	8.0
14169248	9.0
7964	13.0
6193	14.0
62597	5.0
7559	4.0
7677	5.143
12197	4.0
13836674	4.0
11761	7.0
29015	4.167
9642	3.0
156255	5.143
20119	7.0
6118	4.0
363458	5.143
7684	5.143
71390	4.0
8544	3.2
12219	10.0
6307	5.0
7848	9.0
13816	6.0
15077490	7.0
19956441	8.0
12637	12.0
13872989	4.0
11752	6.0
8577	11.0
278	3.0
61487	6.0
11863	8.0
5708	7.0
10536	9.0
14349	10.0
7810	7.0
391	0.0
13835977	4.0
6334	5.0
592	6.0
13871721	5.0
374462	4.167
558883	5.0
56020	5.0
8908	5.143
376	11.0
10025	12.0
5004	14.0
2275	3.2
4446445	9.0
10124	6.0
7852	9.0
3951	6.0
7530	6.125
7766	6.0
6333	5.0
14680	8.0
7827	7.0
4514529	0.0
13835316	4.0
7711	5.0
12499	10.083
19953955	7.0
21109330	8.0
13638	6.125
72056	14.0
10948	6.0
7815	7.0
71312	7.0
2293678	7.0
2018460	8.0
29107	6.0
21169510	9.0
7552	4.0
5993	5.0
13835293	7.0
62589	5.143
7738	3.2
7686	5.143
7480	6.125
7776	6.0
127983	2.0
1087	3.0
6092	3.0
6042	5.0
6316	5.0
8878	3.938
34095	12.0
7568	4.0
10340	4.167
4444608	7.0
10939	6.125
11107	8.0
13835224	5.0
8141	4.167
9233	5.0
23621376	6.0
21111806	6.125
69371	9.0
66565	6.125
18685	11.0
15443	6.125
844	7.0
18607	5.0
11930	8.0
62628	10.0
67653	10.0
7030	4.167
11875	9.0
7721	5.0
2656	7.639
21108550	6.125
7560	4.0
13839416	8.0
13836021	5.0
13835861	6.0
7029	4.167
394562	5.0
10498	5.0
13839441	7.0
21112738	4.0
6104	3.0
4481813	4.0
60524	5.0
11729	4.0
9325	6.125
11694	8.0
11086	5.143
13849981	11.0
6103	3.0
5894	5.0
13835209	6.0
7788	4.167
13839553	5.0
6083	2.0
6314	5.0
61707	6.0
63054	9.091
4510484	9.0
15803	9.091
26563	16.056
70660	12.0
7679	5.143
13835235	4.0
1039	3.0
10772140	5.0
28994	4.0
4937830	4.0
29008	3.2
11809	5.0
8543	5.0
6111	1.333
68832	8.0
13842001	8.0
22191	9.0
75951	10.0
72793	10.0
72551	11.0
24641	11.0
11632871	14.063
33416	13.067
29001	7.0
21106032	6.0
8909	6.125
11857	5.143
7330	3.2
69982	12.0
21106015	4.0
552744	6.0
10464	6.0
61191	9.091
61001	11.077
8912	10.083
7791	4.167
13866593	7.0
7098	9.091
7026	4.167
553742	4.0
5977	4.0
13837702	6.0
13837537	4.167
9724	6.694
18801	8.0
59674	6.0
558928	4.0
6330	5.0
11244	6.0
7021	6.0
11795	7.0
10488	5.143
13647	7.111
6402	6.694
68156	7.0
71876	13.0
415	5.0
10487	5.143
763	2.0
13835336	4.0
24099	6.0
173	4.0
5730	5.0
7678	5.143
553642	6.125
13861343	7.0
13835550	4.0
8733	5.0
48024	5.143
10265270	6.694
693	3.0
124968	5.143
62808	5.143
8910	8.1
9614	5.143
60886	14.410
28993	10.0
17131	11.077
13875283	6.125
9363	5.143
13849989	11.0
11351244	3.938
558020	5.143
7553	4.0
20939	8.1
518	0.0
6326	5.0
20198	12.071
1143	4.0
61111	5.143
4444456	5.0
2441	7.639
6296	8.1
391428	6.694
733	6.0
9970	6.125
8960	2.0
11117	4.167
191	10.0
13837280	5.0
659	4.0
1078	8.0
13835604	7.0
10772050	7.0
14198	6.694
71787	8.0
7528	6.125
6827	8.592
499714	6.125
7018	6.0
11911	6.0
6093	3.0
13836713	4.0
21106535	6.0
7013	6.0
59447	5.143
10179239	6.694
86007	16.056
390927	9.091
10756	9.091
7961	6.0
12643	5.143
19231	6.125
13835630	10.0
13835459	4.167
9581	7.111
13875196	7.111
73412	6.0
13492	11.077
15747	12.071
7236	6.125
10410	8.1
1348	4.167
558878	11.0
5978	5.0
13487	10.083
6119	4.0
10404	9.091
13839199	5.143
9228	6.125
71089	5.143
6342	6.0
9574	8.1
83866	6.125
83850	6.125
9454	9.091
7419	8.1
1108	5.143
7128	7.111
8356	8.1
62530	7.111
7385	7.111
7170	10.083
8903	4.167
13842613	6.125
16159	7.0
7183	8.1
236	4.167
553578	11.0
7736	3.2
7242	6.125
7219	6.125
7521	6.125
7672	5.143
12010	7.0
24533	6.125
789	9.0
7088	8.1
1019	3.2
13835932	8.0
65750	9.091
15461	9.091
11830	6.0
6122	4.0
1095	3.2
7641	6.125
63903	7.111
10497	5.0
8904	4.167
7688	5.143
13874733	5.143
10437135	7.111
11660	7.111
1020	4.167
21106520	5.143
18724	8.1
11042	6.125
31029	4.0
21106560	6.125
21132380	6.125
8531	8.1
15855	9.091
6100	3.0
13837281	6.0
21105905	6.125
66809	6.125
7448	8.1
6179	7.0
7659	7.111
24535	9.091
15702	14.063
25552	8.1
11871	8.0
15409	11.077
20843	6.125
10940	6.125
10251740	6.125
11077	6.125
24972	7.111
9326	6.125
13885245	10.083
6524	18.05
28969	8.1
6967	6.125
8900	3.2
12229	5.143
9360	6.125
10253	8.1
8902	4.167
9350	6.125
7786	6.0
6999	8.1
15965	10.083
6088	2.0
10937	6.125
21106036	9.091
6977	7.111
10364	6.125
62489	6.125
10384035	7.111
11409	7.111
8243	20.045
7391	7.111
21108577	10.083
13257	6.125
70682	10.0
4228778	20.045
13658	8.1
28992	6.125
6528	22.042
7739	3.2
21168808	4.167
8335	8.1
8374	11.077
21111820	4.167
6897	9.091
13863629	5.143
12228	5.143
21112023	8.1
6665	12.071
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7225	6.125
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58563	8.1
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331	8.1
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776	5.76
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36973	13.432
37744	13.432
46894	13.432
45444	13.432
56769	13.432
56780	13.432
34847	13.432
39406	13.432
35081	13.432
56781	13.432
56771	13.432
4575338	13.44
970	9.242
56774	13.432
82765	13.432
34854	14.410
46136	14.410
82736	14.410
56759	14.410
36984	14.410
5026	13.432
2457	13.005
96965	13.432
33198	13.432
3513	13.432
34853	14.410
37745	14.410
36978	14.410
34190	14.410
34191	14.410
36771	14.410
36710	14.410
56757	14.410
549017	14.410
84347	14.410
56764	14.410
56758	14.410
47914	14.410
56762	14.410
33984	14.410
33983	14.410
11283	13.959
2625	15.879
26325089	21.703
13328	11.796
16736498	13.959
23977588	13.959
3584	19.753
5198	15.879
6593	8.32
82783	14.410
34852	14.410
37000	14.410
37019	14.410
56765	14.410
39198	14.410
82740	14.410
56761	14.410
56756	14.410
56766	14.410
83413	14.410
34851	14.410
36976	14.410
56767	14.410
56763	14.410
35108	15.39
10162	21.825
6842	9.242
15827	14.410
5552	19.322
34859	14.410
84346	14.410
56760	14.410
56755	14.410
33666	14.410
106796	16.844
9187483	13.959
3322	17.355
5768	19.326
54833	26.602
11439687	11.484
4444479	22.776
33986	15.39
36983	15.39
36986	15.39
45447	15.39
35566	15.39
47916	15.39
46137	15.39
550258	15.39
33985	15.39
26286843	16.372
11917	18.367
3841535	15.39
65234	16.844
55075	10.083
34860	15.39
82738	15.39
36982	15.39
36979	15.39
47915	15.39
56783	15.39
36981	15.39
37004	15.39
36980	15.39
56782	15.39
36977	15.39
83414	15.39
84348	15.39
82823	15.39
4624	16.372
26325183	14.583
4444100	14.917
34192	16.372
82822	16.372
6013	18.781
70806	11.111
15520	25.641
8860	9.242
4444107	17.811
36990	16.372
35912	16.372
45448	16.372
36987	16.372
36988	16.372
33407	16.372
36985	16.372
35205	16.372
15637	16.372
82821	16.372
21106058	29.554
31006	19.753
35206	17.355
82751	17.355
36989	17.355
11369	8.1
15484	18.340
5113	14.984
5739	11.796
8816	11.796
8817	11.796
4444102	15.879
4471584	16.844
4444553	17.811
8800	9.972
29153	9.972
8804	12.535
8799	12.535
8788	12.535
4067	26.602
21105591	28.019
6045	40.765
75662	29.491
9219586	15.523
1043	21.703
2246	12.535
29400	30.458
21105594	29.491
5678	14.352
8763	13.309
21106077	31.426
4444362	34.338