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