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