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