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