new index	atom name	original index
1	C	15
2	C	16
3	C	13
4	C	14
5	C	11
6	C	12
7	C	7
8	C	8
9	C	6
10	C	5
11	C	10
12	C	9
13	O	3
14	O	4
15	O	1
16	O	2
17	H	27
18	H	26
19	H	25
20	H	30
21	H	29
22	H	28
23	H	21
24	H	22
25	H	23
26	H	24
27	H	20
28	H	19
29	H	18
30	H	17