new index	atom name	original index
1	C	12
2	C	13
3	C	5
4	C	4
5	C	6
6	C	3
7	C	8
8	C	10
9	C	7
10	C	1
11	C	2
12	N	9
13	N	11
14	H	22
15	H	24
16	H	23
17	H	26
18	H	25
19	H	27
20	H	16
21	H	15
22	H	17
23	H	14
24	H	18
25	H	20
26	H	21
27	H	19
