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