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