new index	atom name	original index
1	C	16
2	C	18
3	C	15
4	C	17
5	C	19
6	C	12
7	C	9
8	C	10
9	C	6
10	C	2
11	C	5
12	C	7
13	C	1
14	C	3
15	O	13
16	O	11
17	O	8
18	O	14
19	O	4
20	H	26
21	H	24
22	H	25
23	H	28
24	H	29
25	H	30
26	H	23
27	H	21
28	H	22
29	H	27
30	H	31
31	H	20
