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