VENDOR:          http://joelib.sf.net
RELEASE_VERSION: $Revision: 1.10 $
RELEASE_DATE:    $Date: 2004/07/29 10:16:47 $

#########################################################################
#   - atomic number (used as an index to the vector as well)
#   - elemental symbol
#   - covalent radii
#   - "bond order radii" (usd in B.O. calc)
#   - van der Waals radii
#   - maximum bond valence
#   - RGB values (used by 2D and Java3D rendering)
#   - IUPAC recommended atomic masses (in amu)
#   - number of electrons
#   - period
#   - group
#   - electronegativity (Allred-Rochow) (missing values set to 0)
#   - electronegativity (Pauling) (missing values set to 0)
#   - electronegativity (Sanderson) (missing values set to 0)
#   - electronaffinity  (missing values set to 0)
#   - chemical abstract service (CAS) atom identifier (incomplete)
#########################################################################
# Num	Symb	RCov	RChains	RBO	RVdW	Max_Bnd	Red	Green	Blue	Mass	extEl	period	group	EN_allred_rochow	EN_pauling	EN_sanderson	electroaffinity	CAS
0	Xx	0	0	0	0	0	0.07	0.5	0.7	0	s0	0	0	0	0	0	0	0
1	H	0.23	0.32	0.33	1.2	1	1	1	1	1.008	s1	1	1	2.2	2.1	2.31	-0.756	1333-74-0
2	He	0.93	1.6	0.7	1.4	0	0.85	1	1	4.003	s2	1	18	5.5	0	0	0.5	7440-59-7
3	Li	0.68	0.68	1.23	1.82	1	0.8	0.5	1	6.941	s1	2	1	0.97	1	0.86	-0.618	7439-93-2
4	Be	0.35	0.352	0.9	1.7	2	0.76	1	0	9.012	s2	2	2	1.47	1.5	1.61	0.5	7440-41-7
5	B	0.83	0.832	0.82	2.08	3	1	0.71	0.71	10.812	s2p1	2	13	2.01	2	1.88	-0.277	7440-42-8
6	C	0.68	0.72	0.77	1.95	4	0.5	0.5	0.5	12.011	s2p2	2	14	2.5	2.5	2.47	-1.263	7782-42-5
#6	C	0.68	0.72	0.77	1.95	4	0	0.63	0.63	12.011	s2p2	2	14	2.5	2.5	2.47	-1.263	7782-42-5
7	N	0.68	0.68	0.7	1.85	4	0.05	0.05	1	14.007	s2p3	2	15	3.07	2.5	2.93	0.07	7727-37-9
8	O	0.68	0.68	0.66	1.7	2	1	0.05	0.05	15.999	s2p4	2	16	3.5	3.5	3.46	-1.461
9	F	0.64	0.64	0.611	1.73	1	0.7	1	1	18.998	s2p5	2	17	4.1	4	3.92	-3.399
10	Ne	0.7	1.12	0.7	1.54	0	0.7	0.89	0.96	20.18	s2p6	2	18	4.8	0	0	1.2
11	Na	0.97	0.972	1.54	2.27	1	0.67	0.36	0.95	22.99	s1	3	1	1.01	0.9	0.85	-0.546
12	Mg	1.1	1.1	1.36	1.73	2	0.54	1	0	24.305	s2	3	2	1.23	1.2	1.42	0.4
13	Al	1.35	1.352	1.18	2.05	6	0.75	0.65	0.65	26.982	s2p1	3	13	1.47	1.5	1.54	-0.456
14	Si	1.2	1.2	0.937	2.1	6	0.5	0.6	0.6	28.086	s2p2	3	14	1.74	1.8	1.74	-1.385
15	P	0.75	1.048	0.89	2.08	5	1	0.5	0	30.974	s2p3	3	15	2.06	2.1	2.16	-0.747
16	S	1.02	1.02	1.04	2	6	1	1	0.19	32.067	s2p4	3	16	2.44	2.5	2.66	-2.077
17	Cl	0.99	1	0.997	1.97	1	0.12	0.94	0.12	35.453	s2p5	3	17	2.83	3	3.28	-3.617
18	Ar	0.7	1.568	1.74	1.88	0	0.5	0.82	0.89	39.948	s2p6	3	18	3.2	0	0	1
19	K	1.33	1.328	2.03	2.75	1	0.56	0.25	0.83	39.098	s1	4	1	0.91	0.8	0.74	-0.502
20	Ca	0.99	0.992	1.74	1.973	2	0.24	1	0	40.078	s2	4	2	1.04	1	1.06	0.3
21	Sc	1.44	1.44	1.44	1.7	6	0.9	0.9	0.9	44.956	s2d1	4	3	1.2	1.3	1.09	0
22	Ti	1.47	1.472	1.32	1.7	6	0.75	0.76	0.78	47.867	s2d2	4	4	1.32	1.5	1.13	-0.21
23	V	1.33	1.328	1.22	1.7	6	0.65	0.65	0.67	50.942	s2d3	4	5	1.45	1.6	1.24	-0.52
24	Cr	1.35	1.352	1.18	1.7	6	0.54	0.6	0.78	51.996	s1d5	4	6	1.56	1.6	1.35	-0.66
25	Mn	1.35	1.352	1.17	1.7	8	0.61	0.48	0.78	54.938	s2d5	4	7	1.6	1.5	1.47	0
26	Fe	1.34	1.34	1.17	1.7	6	0.5	0.48	0.78	55.845	s2d6	4	8	1.64	1.8	1.47	-0.25
27	Co	1.33	1.328	1.16	1.7	6	0.44	0.48	0.78	58.933	s2d7	4	9	1.7	1.9	1.47	-0.73
28	Ni	1.5	1.5	1.15	1.63	6	0.36	0.48	0.76	58.693	s2d8	4	10	1.75	1.9	1.47	-1.15
29	Cu	1.52	1.52	1.17	1.4	6	1	0.48	0.38	63.546	s1d10	4	11	1.75	1.9	1.74	-1.226
30	Zn	1.45	1.448	1.25	1.39	6	0.49	0.5	0.69	65.39	s2d10	4	12	1.66	1.6	1.86	0
31	Ga	1.22	1.22	1.26	1.87	3	0.76	0.56	0.56	69.723	s2p1	4	13	1.82	1.6	2.1	-0.3
32	Ge	1.17	1.168	1.188	1.7	4	0.4	0.56	0.56	72.61	s2p2	4	14	2.02	1.8	2.31	-1.244
33	As	1.21	1.208	1.2	1.85	3	0.74	0.5	0.89	74.922	s2p3	4	15	2.2	2	2.53	-0.8
34	Se	1.22	1.22	1.17	1.9	2	1	0.63	0	78.96	s2p4	4	16	2.48	2.4	2.76	-2.021
35	Br	1.21	1.208	1.167	2.1	1	0.65	0.16	0.16	79.904	s2p5	4	17	2.74	2.8	2.96	-3.365
36	Kr	1.91	1.6	1.91	2.02	0	0.36	0.72	0.82	83.8	s2p6	4	18	2.9	0	2.91	1
37	Rb	1.47	1.472	2.16	1.7	1	0.44	0.18	0.69	85.468	s1	5	1	0.89	0.8	0.7	-0.486
38	Sr	1.12	1.12	1.91	1.7	2	0	1	0	87.62	s2	5	2	0.99	1	0.96	0.3
39	Y	1.78	1.78	1.62	1.7	6	0.58	1	1	88.906	s2d1	5	3	1.11	1.2	0.98	0
40	Zr	1.56	1.56	1.45	1.7	6	0.58	0.88	0.88	91.224	s2d2	5	4	1.22	1.4	1	-0.52
41	Nb	1.48	1.48	1.34	1.7	6	0.45	0.76	0.79	92.906	s1d4	5	5	1.23	1.6	1.12	-1.04
42	Mo	1.47	1.472	1.3	1.7	6	0.33	0.71	0.71	95.94	s1d5	5	6	1.3	1.8	1.24	-1.04
43	Tc	1.35	1.352	1.27	1.7	6	0.23	0.62	0.62	98	s1d6	5	7	1.36	1.9	1.33	-0.72
44	Ru	1.4	1.4	1.25	1.7	6	0.14	0.56	0.56	101.07	s1d7	5	8	1.42	2.2	1.4	-1.14
45	Rh	1.45	1.448	1.25	1.7	6	0.04	0.49	0.55	102.906	s1d8	5	9	1.45	2.2	1.47	-1.24
46	Pd	1.5	1.5	1.28	1.63	6	0	0.41	0.52	106.42	s0d10	5	10	1.3	2.2	1.57	-0.62
47	Ag	1.59	1.592	1.34	1.72	6	0.88	0.88	1	107.868	s1d10	5	11	1.42	1.9	1.72	-1.303
48	Cd	1.69	1.688	1.48	1.58	6	1	0.85	0.56	112.412	s2d10	5	12	1.46	1.7	1.73	0
49	In	1.63	1.632	1.44	1.93	3	0.65	0.46	0.45	114.818	s2p1	5	13	1.49	1.7	1.88	-0.3
50	Sn	1.46	1.46	1.385	2.17	4	0.4	0.5	0.5	118.711	s2p2	5	14	1.72	1.8	2.02	-1.254
51	Sb	1.46	1.46	1.4	2.2	3	0.62	0.39	0.71	121.76	s2p3	5	15	1.82	1.9	2.19	-1.047
52	Te	1.47	1.472	1.378	2.06	2	0.83	0.48	0	127.6	s2p4	5	16	2.01	2.1	2.34	-1.971
53	I	1.4	1.4	1.387	2.15	1	0.58	0	0.58	126.904	s2p5	5	17	2.21	2.5	2.5	-3.059
54	Xe	1.98	1.7	1.98	2.16	0	0.26	0.62	0.69	131.29	s2p6	5	18	2.4	0	2.34	0.8
55	Cs	1.67	1.672	2.35	1.7	1	0.34	0.09	0.56	132.905	s1	6	1	0.86	0.7	0.69	-0.471
56	Ba	1.34	1.34	1.98	1.7	2	0	0.79	0	137.328	s2	6	2	0.97	0.9	0.93	0.48
57	La	1.87	1.872	1.69	1.7	12	0.44	0.83	1	138.906	s2f0d1	6	Lanthanoids	1.08	1.08	1.08	0
58	Ce	1.83	1.832	1.83	1.7	6	1	1	0.78	140.116	s2f2	6	Lanthanoids	1.08	1.08	1.08	0
59	Pr	1.82	1.82	1.82	1.7	6	0.85	1	0.78	140.908	s2f3	6	Lanthanoids	1.07	1.07	1.07	0
60	Nd	1.81	1.808	1.81	1.7	6	0.78	1	0.78	144.24	s2f4	6	Lanthanoids	1.07	1.07	1.07	0
61	Pm	1.8	1.8	1.8	1.7	6	0.64	1	0.78	145	s2f5	6	Lanthanoids	1.07	1.07	1.07	0
62	Sm	1.8	1.8	1.8	1.7	6	0.56	1	0.78	150.36	s2f6	6	Lanthanoids	1.07	1.07	1.07	0
63	Eu	1.99	1.992	1.99	1.7	6	0.38	1	0.78	151.964	s2f7	6	Lanthanoids	1.1	1.1	1.1	0
64	Gd	1.79	1.792	1.79	1.7	6	0.27	1	0.78	157.25	s2f7d1	6	Lanthanoids	1.11	1.11	1.11	0
65	Tb	1.76	1.76	1.76	1.7	6	0.19	1	0.78	158.925	s2f9	6	Lanthanoids	1.1	1.1	1.1	0
66	Dy	1.75	1.752	1.75	1.7	6	0.12	1	0.78	162.5	s2f10	6	Lanthanoids	1.1	1.1	1.1	0
67	Ho	1.74	1.74	1.74	1.7	6	0	1	0.61	164.93	s2f11	6	Lanthanoids	1.1	1.1	1.1	0
68	Er	1.73	1.728	1.73	1.7	6	0	0.9	0.46	167.26	s2f12	6	Lanthanoids	1.11	1.11	1.11	0
69	Tm	1.72	1.72	1.72	1.7	6	0	0.83	0.32	168.934	s2f13	6	Lanthanoids	1.11	1.11	1.11	0
70	Yb	1.94	1.94	1.94	1.7	6	0	0.75	0.22	173.04	s2f14	6	Lanthanoids	1.06	1.06	1.06	0
71	Lu	1.72	1.72	1.72	1.7	6	0	0.67	0.14	174.967	s2d1	6	3	1.14	1.14	1.14	0
72	Hf	1.57	1.568	1.44	1.7	6	0.3	0.76	1	178.49	s2d2	6	4	1.23	1.3	0.98	0
73	Ta	1.43	1.432	1.34	1.7	6	0.3	0.65	1	180.948	s2d3	6	5	1.33	1.5	1.04	-0.62
74	W	1.37	1.368	1.3	1.7	6	0.13	0.58	0.84	183.84	s2d4	6	6	1.4	1.7	1.13	-0.62
75	Re	1.35	1.352	1.28	1.7	6	0.15	0.49	0.67	186.207	s2d5	6	7	1.46	1.9	1.19	-0.16
76	Os	1.37	1.368	1.26	1.7	6	0.15	0.4	0.59	190.23	s2d6	6	8	1.52	2.2	1.26	-1.14
77	Ir	1.32	1.32	1.27	1.7	6	0.09	0.33	0.53	192.217	s2d7	6	9	1.55	2.2	1.33	-1.66
78	Pt	1.5	1.5	1.3	1.72	6	0.96	0.93	0.82	195.078	s1d9	6	10	1.42	2.2	1.36	-2.128
79	Au	1.5	1.5	1.34	1.66	6	0.8	0.82	0.12	196.967	s1d10	6	11	1.42	2.4	1.72	-2.308
80	Hg	1.7	1.7	1.49	1.55	6	0.71	0.71	0.76	200.59	s2d10	6	12	1.44	1.9	1.92	0
81	Tl	1.55	1.552	1.48	1.96	3	0.65	0.33	0.3	204.383	s2p1	6	13	1.44	1.8	1.96	-0.31
82	Pb	1.54	1.54	1.48	2.02	4	0.34	0.35	0.38	207.2	s2p2	6	14	1.55	1.9	2.01	-1.14
83	Bi	1.54	1.54	1.45	1.7	3	0.62	0.31	0.71	208.98	s2p3	6	15	1.67	1.9	2.06	-1.14
84	Po	1.68	1.68	1.46	1.7	2	0.67	0.36	0	209	s2p4	6	16	1.76	2	0	-1.87
85	At	0.7	1.208	1.45	1.7	1	0.46	0.31	0.27	210	s2p5	6	17	1.96	2.2	0	-2.8
86	Rn	2.4	1.9	2.4	1.7	0	0.26	0.51	0.59	222	s2p6	6	18	2.1	0	0	0.4
87	Fr	2	1.8	2	1.7	1	0.26	0	0.4	223	s1	7	1	0.86	0.7	0	-0.46
88	Ra	1.9	1.432	1.9	1.7	2	0	0.49	0	226	s2	7	2	0.97	0.9	0	0
89	Ac	1.88	1.18	1.88	1.7	6	0.44	0.67	0.98	227	s2f0d1	7	Actinoids	1	1	1	0
90	Th	1.79	1.02	1.79	1.7	6	0	0.73	1	232.038	s2f0d2	7	Actinoids	1.11	1.11	1.11	0
91	Pa	1.61	0.888	1.61	1.7	6	0	0.63	1	231.036	s2f2d1	7	Actinoids	1.14	1.14	1.14	0
92	U	1.58	0.968	1.58	1.86	6	0	0.56	1	238.029	s2f3d1	7	Actinoids	1.22	1.22	1.22	0
93	Np	1.55	0.952	1.55	1.7	6	0	0.5	1	237	s2f4d1	7	Actinoids	1.22	1.22	1.22	0
94	Pu	1.53	0.928	1.53	1.7	6	0	0.42	1	244	s2f6	7	Actinoids	1.22	1.22	1.22	0
95	Am	1.51	0.9	1.07	1.7	6	0.33	0.36	0.95	243	s2f7	7	Actinoids	1.2	1.2	1.2	0
96	Cm	0	0.912	0	1.7	6	0.47	0.36	0.89	247	s2f7d1	7	Actinoids	1.2	1.2	1.2	0
97	Bk	0	0.9	0	1.7	6	0.54	0.31	0.89	247	s2f9	7	Actinoids	1.2	1.2	1.2	0
98	Cf	0	0.888	0	1.7	6	0.63	0.21	0.83	251	s2f10	7	Actinoids	1.2	1.2	1.2	0
99	Es	0	0.88	0	1.7	6	0.7	0.12	0.83	252	s2f11	7	Actinoids	1.2	1.2	1.2	0
100	Fm	0	0.872	0	1.7	6	0.7	0.12	0.73	257	s2f12	7	Actinoids	1.2	1.2	1.2	0
101	Md	0	0.86	0	1.7	6	0.7	0.05	0.65	258	s2f13	7	Actinoids	1.2	1.2	1.2	0
102	No	0	0.848	0	1.7	6	0.74	0.05	0.53	259	s2f14	7	Actinoids	1.2	1.2	1.2	0
103	Lr	0	0.84	0	1.7	6	0.78	0	0.4	262	s2d1	7	3	1.2	1.2	1.2	0
104	Rf	0	0	0	1.7	6	0.8	0	0.35	261	s2d2	7	4	0	0	0	0
105	Db	0	0	0	1.7	6	0.82	0	0.31	262	s2d3	7	5	0	0	0	0
106	Sg	0	0	0	1.7	6	0.85	0	0.27	263	s2d4	7	6	0	0	0	0
107	Bh	0	0	0	1.7	6	0.88	0	0.22	264	s2d5	7	7	0	0	0	0
108	Hs	0	0	0	1.7	6	0.9	0	0.18	265	s2d6	7	8	0	0	0	0
109	Mt	0	0	0	1.7	6	0.92	0	0.15	268	s2d7	7	9	0	0	0	0
110	Uun	0	0	0	1.7	6	0.95	0	0.11	269	s2d8	7	10	0	0	0	0
