new index	atom name	original index
1	C	12
2	C	4
3	C	2
4	C	9
5	C	6
6	C	3
7	C	8
8	C	7
9	N	5
10	O	1
11	O	10
12	O	11
13	H	19
14	H	20
15	H	21
16	H	16
17	H	14
18	H	15
19	H	17
20	H	13
21	H	18
