new index	atom name	original index
1	C	17
2	C	18
3	C	15
4	C	16
5	C	12
6	C	13
7	C	11
8	C	6
9	C	14
10	C	5
11	C	8
12	C	4
13	C	7
14	C	10
15	C	9
16	O	1
17	O	3
18	O	2
19	H	30
20	H	28
21	H	29
22	H	26
23	H	31
24	H	27
25	H	24
26	H	25
27	H	22
28	H	23
29	H	21
30	H	19
31	H	20
32	H	32