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