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