new index	atom name	original index
1	C	12
2	C	10
3	C	11
4	C	8
5	C	9
6	C	7
7	C	5
8	C	13
9	C	6
10	N	4
11	O	2
12	O	3
13	O	1
14	H	21
15	H	19
16	H	20
17	H	17
18	H	18
19	H	14
20	H	15
21	H	16
22	H	22
