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