Atom No.	Atom Type	Gro Atom Type	Atom No.	Atom Type	Charge	Charge Group	Distance(A)  Energy
1	CA	CH3	0	C	8	C	0.380	6	4.85821	0
 	CA	CH3	0	O	9	O	-0.380	6	4.76302	0
 	CA	CH3	0	N	10	N	-0.280	2	6.10718	0
 	CA	CH3	0	H	11	H	0.280	2	6.39272	0
 	CA	CH3	0	CH3	12	CA	0.000	3	7.33993	0
 	 	 	 	 	 	 	 	 	 	 	
2	C	C	0.38	N	10	N	-0.280	2	4.89807	-30.1807
 	C	C	0.38	H	11	H	0.280	2	5.03905	29.3364
 	C	C	0.38	CH3	12	CA	0.000	3	6.24666	0
 	 	 	 	 	 	 	 	 	 	 	
3	O	O	-0.38	C	8	C	0.380	6	4.38565	-45.7453
 	O	O	-0.38	O	9	O	-0.380	6	4.90479	40.9034
 	O	O	-0.38	N	10	N	-0.280	2	5.30142	27.8845
 	O	O	-0.38	H	11	H	0.280	2	5.20939	-28.3771
 	O	O	-0.38	CH3	12	CA	0.000	3	6.74062	0
 	 	 	 	 	 	 	 	 	 	 	
 	 	 	 	 	 	 	 	 	 	 	 	
4	N	N	-0.28	CH3	12	CA	0.000	3	4.97839	0
 	 	 	 	 	 	 	 	 	 	 	
5	H	H	0.28	N	10	N	-0.280	2	3.80724	-28.61
 	H	H	0.28	H	11	H	0.280	2	4.32947	25.1591
 	H	H	0.28	CH3	12	CA	0.000	3	4.88637	0
 	 	 	 	 	 	 	 	 	 	 	
7	CB	CH3	0	CH3	1	CA	0.000	0	4.48524	0
 	CB	CH3	0	CH3	12	CA	0.000	3	4.32419	0
 	 	 	 	 	 	 	 	 	 	 	
8	C	C	0.38	CH3	1	CA	0.000	0	4.85821	0
 	 	 	 	 	 	 	 	 	 	 	
9	O	O	-0.38	CH3	1	CA	0.000	0	4.76302	0
 	O	O	-0.38	C	2	C	0.380	1	4.02515	-49.8423
 	O	O	-0.38	O	3	O	-0.380	1	4.90479	40.9034
 	 	 	 	 	 	 	 	 	 	 	
 	 	 	 	 	 	 	 	 	 	 	 	
10	N	N	-0.28	CH3	1	CA	0.000	0	6.10718	0
 	N	N	-0.28	C	2	C	0.380	1	4.89807	-30.1807
 	N	N	-0.28	O	3	O	-0.380	1	5.30142	27.8845
 	 	 	 	 	 	 	 	 	 	 	
11	H	H	0.28	CH3	1	CA	0.000	0	6.39272	0
 	H	H	0.28	C	2	C	0.380	1	5.03905	29.3364
 	H	H	0.28	O	3	O	-0.380	1	5.20939	-28.3771
 	H	H	0.28	N	4	N	-0.280	4	3.9948	-27.2668
 	H	H	0.28	H	5	H	0.280	4	4.32947	25.1591
 	 	 	 	 	 	 	 	 	 	 	
12	CA	CH3	0	CH3	1	CA	0.000	0	7.33993	0
 	CA	CH3	0	C	2	C	0.380	1	6.24666	0
 	CA	CH3	0	O	3	O	-0.380	1	6.74062	0
 	CA	CH3	0	N	4	N	-0.280	4	4.97839	0
 	CA	CH3	0	H	5	H	0.280	4	4.88637	0
 	 	 	 	 	 	 	 	 	 	 	
 	 	 	 	 	 	 	 	 	 	 	
 	 	 	 	 	 	 	 	 	 	 	Total Energy=	-22.0135 kJ/mol