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