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