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