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