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