new index	atom name	original index
1	C	3
2	C	2
3	C	4
4	C	13
5	C	14
6	C	1
7	C	5
8	C	12
9	C	15
10	C	6
11	C	7
12	C	8
13	N	11
14	O	9
15	O	10
16	H	18
17	H	17
18	H	19
19	H	24
20	H	25
21	H	16
22	H	20
23	H	23
24	H	26
25	H	21
26	H	22
