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