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