new index	atom name	original index
1	C	12
2	C	11
3	C	4
4	C	5
5	C	10
6	C	9
7	C	2
8	C	6
9	C	1
10	N	8
11	O	3
12	O	7
13	H	21
14	H	23
15	H	22
16	H	19
17	H	20
18	H	13
19	H	14
20	H	18
21	H	17
22	H	15
23	H	16
