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