new index	atom name	original index
1	C	10
2	C	9
3	C	11
4	C	8
5	C	2
6	C	4
7	C	1
8	C	5
9	C	12
10	C	7
11	N	13
12	N	3
13	N	6
14	H	25
15	H	24
16	H	26
17	H	23
18	H	16
19	H	17
20	H	19
21	H	20
22	H	14
23	H	15
24	H	21
25	H	22
26	H	27
27	H	28
28	H	18
