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