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