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