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