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