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