new index	atom name	original index
1	C	13
2	C	10
3	C	9
4	C	8
5	C	7
6	C	11
7	C	2
8	C	1
9	C	5
10	C	3
11	O	12
12	O	6
13	O	4
14	H	22
15	H	23
16	H	21
17	H	19
18	H	18
19	H	17
20	H	16
21	H	20
22	H	14
23	H	15
