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