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