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