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