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