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