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