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