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