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