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