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