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