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