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