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