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