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