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