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