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