new index	atom name	original index
1	C	15
2	C	13
3	C	9
4	C	12
5	C	8
6	C	10
7	C	16
8	C	11
9	C	14
10	N	7
11	N	6
12	N	5
13	O	3
14	O	2
15	O	4
16	O	1
17	H	27
18	H	25
19	H	18
20	H	19
21	H	22
22	H	23
23	H	17
24	H	21
25	H	20
26	H	28
27	H	29
28	H	26
29	H	24