new index	atom name	original index
1	C	11
2	C	12
3	C	14
4	C	4
5	C	8
6	C	3
7	C	7
8	C	6
9	C	1
10	C	10
11	C	2
12	C	9
13	O	13
14	O	5
15	H	22
16	H	20
17	H	21
18	H	25
19	H	23
20	H	24
21	H	27
22	H	28
23	H	26
24	H	16
25	H	19
26	H	15
27	H	18
28	H	17
