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