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