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