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