new index	atom name	original index
1	C	9
2	C	11
3	C	4
4	C	6
5	C	1
6	C	2
7	C	3
8	C	5
9	N	7
10	O	8
11	O	10
12	H	19
13	H	20
14	H	14
15	H	15
16	H	16
17	H	17
18	H	12
19	H	13
20	H	18
