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Comma Seperated Value File  |  1994-05-08  |  12KB  |  330 rows

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#	ID	NAME	ANUMBER	XCOORD	YCOORD	ZCOORD	CHARGE
1	INTEGER	STRING	INTEGER	FLOAT	FLOAT	FLOAT	FLOAT
2	4	5	4	8	8	8	8
3	1	C3	6	0	0	0	0
4	2	O3	8	1.426	3.84663e-006	-2.30131e-006	0
5	3	H	1	-0.3333	4.08161e-017	0.9428	0
6	4	H	1	-0.3333	-0.8165	-0.4714	0
7	5	H	1	-0.333304	0.8165	-0.471397	0
8	6	H	1	1.7593	-0.942795	-3.19103e-006	0
9	7	O3	8	-4	0.00488172	-0.00488603	0
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11	ID	NAME	ANUMBER	XCOORD	YCOORD	ZCOORD	CHARGE
12	INTEGER	STRING	INTEGER	FLOAT	FLOAT	FLOAT	FLOAT
13	4	5	4	8	8	8	8
14	1	C3	6	0	0	0	0
15	2	O3	8	1.45412	0.00462017	-0.000178902	0
16	3	H	1	-0.326178	0.000488845	0.945287	0
17	4	H	1	-0.323744	-0.820414	-0.471264	0
18	5	H	1	-0.328947	0.816817	-0.473901	0
19	6	H	1	1.79043	-0.937114	0.00130009	0
20	7	O3	8	-3.97187	-0.00767375	-0.00447337	0
21	8	H	1	-4.30336	-0.951131	-0.00331229	0
22	ID	NAME	ANUMBER	XCOORD	YCOORD	ZCOORD	CHARGE
23	INTEGER	STRING	INTEGER	FLOAT	FLOAT	FLOAT	FLOAT
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25	1	C3	6	0	0	0	0
26	2	O3	8	1.53716	0.0182419	-0.000791673	0
27	3	H	1	-0.305018	0.00193044	0.952324	0
28	4	H	1	-0.295867	-0.830955	-0.471121	0
29	5	H	1	-0.315443	0.818153	-0.480729	0
30	6	H	1	1.88168	-0.920519	0.0045305	0
31	7	O3	8	-3.88852	-0.0410478	-0.00315524	0
32	8	H	1	-4.21176	-0.987337	0.00210892	0
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41	6	H	1	2.02696	-0.895053	0.00798169	0
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93	3	H	1	0.0399048	0.0168715	0.999041	0
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102	1	C3	6	0	0	0	0
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104	3	H	1	0.109157	0.0163269	0.993871	0
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106	5	H	1	0.0963391	0.854097	-0.511092	0
107	6	H	1	3.45156	-0.917729	-0.000732142	0
108	7	O3	8	-2.31528	-0.0106708	0.00411246	0
109	8	H	1	-2.6421	-0.955352	0.0199312	0
110	ID	NAME	ANUMBER	XCOORD	YCOORD	ZCOORD	CHARGE
111	INTEGER	STRING	INTEGER	FLOAT	FLOAT	FLOAT	FLOAT
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115	3	H	1	0.17294	0.0142072	0.98481	0
116	4	H	1	0.165719	-0.861	-0.480829	0
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137	3	H	1	0.273418	0.00701624	0.961849	0
138	4	H	1	0.265987	-0.839159	-0.474386	0
139	5	H	1	0.274946	0.827754	-0.489088	0
140	6	H	1	4.08346	-0.964795	0.000149421	0
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143	ID	NAME	ANUMBER	XCOORD	YCOORD	ZCOORD	CHARGE
144	INTEGER	STRING	INTEGER	FLOAT	FLOAT	FLOAT	FLOAT
145	4	5	4	8	8	8	8
146	1	C3	6	0	0	0	0
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148	3	H	1	0.306432	0.00343213	0.951866	0
149	4	H	1	0.302384	-0.82777	-0.472588	0
150	5	H	1	0.307564	0.821458	-0.480198	0
151	6	H	1	4.2202	-0.956069	0.000100885	0
152	7	O3	8	-1.53725	0.00994426	-0.00360891	0
153	8	H	1	-1.87356	-0.931394	0.000676572	0
154	ID	NAME	ANUMBER	XCOORD	YCOORD	ZCOORD	CHARGE
155	INTEGER	STRING	INTEGER	FLOAT	FLOAT	FLOAT	FLOAT
156	4	5	4	8	8	8	8
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160	4	H	1	0.325422	-0.819514	-0.471674	0
161	5	H	1	0.326896	0.817727	-0.473752	0
162	6	H	1	4.30551	-0.946676	2.18902e-005	0
163	7	O3	8	-1.45412	0.00626202	-0.00456795	0
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165	ID	NAME	ANUMBER	XCOORD	YCOORD	ZCOORD	CHARGE
166	INTEGER	STRING	INTEGER	FLOAT	FLOAT	FLOAT	FLOAT
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171	4	H	1	0.333299	-0.816499	-0.471402	0
172	5	H	1	0.333298	0.816502	-0.471398	0
173	6	H	1	4.3345	-0.942798	-5.88005e-006	0
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193	4	H	1	0.302384	-0.82777	-0.472588	0
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195	6	H	1	4.2202	-0.956069	0.000100885	0
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199	INTEGER	STRING	INTEGER	FLOAT	FLOAT	FLOAT	FLOAT
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306	7	O3	8	-3.75328	-0.0834667	-0.000898722	0
307	8	H	1	-4.06528	-1.03346	0.0095111	0
308	ID	NAME	ANUMBER	XCOORD	YCOORD	ZCOORD	CHARGE
309	INTEGER	STRING	INTEGER	FLOAT	FLOAT	FLOAT	FLOAT
310	4	5	4	8	8	8	8
311	1	C3	6	0	0	0	0
312	2	O3	8	1.53716	0.0182419	-0.000791673	0
313	3	H	1	-0.305018	0.00193044	0.952324	0
314	4	H	1	-0.295867	-0.830955	-0.471121	0
315	5	H	1	-0.315443	0.818153	-0.480729	0
316	6	H	1	1.88168	-0.920519	0.0045305	0
317	7	O3	8	-3.88852	-0.0410478	-0.00315524	0
318	8	H	1	-4.21176	-0.987337	0.00210892	0
319	ID	NAME	ANUMBER	XCOORD	YCOORD	ZCOORD	CHARGE
320	INTEGER	STRING	INTEGER	FLOAT	FLOAT	FLOAT	FLOAT
321	4	5	4	8	8	8	8
322	1	C3	6	0	0	0	0
323	2	O3	8	1.45412	0.00462017	-0.000178902	0
324	3	H	1	-0.326178	0.000488845	0.945287	0
325	4	H	1	-0.323744	-0.820414	-0.471264	0
326	5	H	1	-0.328947	0.816817	-0.473901	0
327	6	H	1	1.79043	-0.937114	0.00130009	0
328	7	O3	8	-3.97187	-0.00767375	-0.00447337	0
329	8	H	1	-4.30336	-0.951131	-0.00331229	0