new index	atom name	original index
1	C	13
2	C	8
3	C	15
4	C	11
5	C	12
6	C	5
7	C	6
8	C	7
9	C	2
10	C	9
11	C	4
12	N	14
13	N	3
14	N	1
15	O	10
16	H	25
17	H	24
18	H	23
19	H	20
20	H	19
21	H	18
22	H	28
23	H	21
24	H	22
25	H	16
26	H	17
27	H	26
28	H	27
