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