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