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