new index	atom name	original index
1	C	1
2	C	2
3	C	3
4	C	9
5	C	14
6	C	10
7	C	13
8	C	4
9	C	8
10	C	11
11	C	6
12	O	12
13	O	7
14	O	5
15	H	15
16	H	16
17	H	17
18	H	18
19	H	19
20	H	20
21	H	21
22	H	24
23	H	28
24	H	25
25	H	27
26	H	22
27	H	23
28	H	26
