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