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