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