new index	atom name	original index
1	C	14
2	C	15
3	C	10
4	C	9
5	C	12
6	C	13
7	C	11
8	C	2
9	C	3
10	C	4
11	C	5
12	C	6
13	N	1
14	O	7
15	O	8
16	H	27
17	H	28
18	H	21
19	H	22
20	H	19
21	H	20
22	H	25
23	H	26
24	H	23
25	H	24
26	H	17
27	H	16
28	H	18
