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