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