new index	atom name	original index
1	C	12
2	C	10
3	C	9
4	C	3
5	C	2
6	C	5
7	C	4
8	C	7
9	C	6
10	N	1
11	O	8
12	O	11
13	H	24
14	H	25
15	H	23
16	H	22
17	H	21
18	H	17
19	H	18
20	H	15
21	H	16
22	H	19
23	H	13
24	H	14
25	H	20
