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