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