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