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