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