#Model for Polymer

39 atoms

 
3 atom types

-50.0 50.0 xlo xhi
-50.0 50.0 ylo yhi
-50.0 50.0 zlo zhi

Masses

1 12.0110 #Kohlenstoff
2 1.0080  #Wasserstoff
3 15.9990 #Sauerstoff

Atoms #number, sort,position, q

1	1	0	0	0	0	
2	1	2	0	0	0	
3	2	2	-2	0	0	
4	2	2	2	0	0	
5	3	2.9999	0	-1.732	0	
6	1	4.9999	0	-1.732	0	
7	3	4.9999	0	-2.732	0	
8	1	6.8888	0	0	0	
9	2	6.8888	0	2	0	
10	1	8.8888	0	0	0	
11	2	9.7777	0	-1.732	0	
12	2	9.7777	0	1.732	0	
13	1	-2	0	0	0		#Beginn der zweiten (-x) Kette 
14	2	-2	-2	0	0	
15	2	-2	0	2	0	
16	3	-2.9999	1.732	0	0	
17	1	-4.9999	1.732	0	0	
18	3	-4.9999	2.732	0	0	
19	1	-6.8888	0	0	0	
20	2	-6.8888	-2	0	0	
21	1	-8.8888	0	0	0	
22	2	-9.7777	1.732	0	0	
23	2	-9.7777	-1.732	0	0	
24	1	0	0	2	0		#Beginn der dritten (z) Kette
25	2	0	2	3.666	0	
26	2	2	0	2	0	
27	3	0	-1.732	2.9999	0	
28	1	0	-1.732	4.9999	0	
29	3	0	-2.732	4.9999	0	
30	1	0	0	6.8888	0	
31	2	0	2	6.8888	0	
32	1	0	0	8.8888	0	
33	2	0	-1.732	9.7777	0	
34	2	0	1.732	9.7777	0	
35	1	0	2	0	0		#Beginn des aktiven Endes (y)
36	2	-2	2	0	0	
37	2	0	2	-2	0	
38	3	0	2.9999	1.732	0	
39	2	0	4.9999	1.732	0