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