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