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