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