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