new index	atom name	original index
1	C	11
2	C	13
3	C	12
4	C	9
5	C	10
6	C	5
7	C	6
8	C	2
9	C	4
10	C	1
11	O	3
12	O	7
13	O	8
14	H	21
15	H	22
16	H	23
17	H	25
18	H	24
19	H	19
20	H	20
21	H	14
22	H	15
23	H	16
24	H	17
25	H	18
