#IP-DIP findbare komponente

39 atoms

Coords

1 	0 	0 	0	
2 	2 	0 	0	
3 	2	-2	0	
4 	2	2	0	
5 	2.9999 	0	-1.732	
6	4.9999 	0	-1.732	
7 	4.9999 	0 	-2.732	
8 	6.8888 	0 	0	
9 	6.8888 	0 	2	
10 	8.8888 	0 	0	
11 	9.7777 	0 	-1.732	
12 	9.7777 	0 	1.732	
13 	-2 	0 	0		
14 	-2 	-2 	0	
15 	-2 	0 	2	
16 	-2.9999 1.732 	0	
17 	-4.9999 1.732 	0	
18 	-4.9999 2.732 	0	
19 	-6.8888 0 	0	
20 	-6.8888 -2 	0	
21 	-8.8888 0 	0	
22 	-9.7777 1.732 	0	
23 	-9.7777 -1.732 	0	
24 	0 	0 	2		
25 	0 	2 	2	
26 	2 	0 	2	
27 	0 	-1.732 	2.9999	
28 	0 	-1.732 	4.9999	
29 	0 	-2.732 	4.9999	
30 	0 	0 	6.8888	
31 	0 	2 	6.8888	
32 	0 	0 	8.8888	
33 	0 	-1.732 	9.7777	
34 	0 	1.732 	9.7777	
35 	0 	2 	0		
36 	-2 	2 	0	
37 	0 	2 	-2	
38 	0 	4.9999 	1.732	
39 	0 	6.9999 	1.732	


Types 

1	1	
2	1	
3	2	
4	2	
5	3	
6	1	
7	3	
8	1	
9	2	
10	1	
11	2	
12	2	
13	1		#Beginn der zweiten (-x) Kette 
14	2	
15	2	
16	3	
17	1	
18	3	
19	1	
20	2	
21	1	
22	2	
23	2	
24	1		#Beginn der dritten (z) Kette
25	2	
26	2	
27	3	
28	1	
29	3	
30	1	
31	2	
32	1	
33	2	
34	2	
35	1		#Beginn des aktiven Endes (y)
36	2	
37	2	
38	3	
39	2	

Masses

1	12.0110	
2	12.0110	
3	1.0080	
4	1.0080	
5	15.9990	
6	12.0110	
7	15.9990	
8	12.0110	
9	1.0080	
10	12.0110	
11	1.0080	
12	1.0080	
13	12.0110		#Beginn der zweiten (-x) Kette 
14	1.0080	
15	1.0080	
16	15.9990	
17	12.0110	
18	15.9990	
19	12.0110	
20	1.0080	
21	12.0110	
22	1.0080	
23	1.0080	
24	12.0110		#Beginn der dritten (z) Kette
25	1.0080	
26	1.0080	
27	15.9990	
28	12.0110	
29	15.9990	
30	12.0110	
31	1.0080	
32	12.0110	
33	1.0080	
34	1.0080	
35	12.0110		#Beginn des aktiven Endes (y)
36	1.0080	
37	1.0080	
38	15.9990	
39	1.0080