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