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