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