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