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