new index	atom name	original index
1	C	14
2	C	8
3	C	9
4	C	10
5	C	11
6	C	6
7	C	13
8	C	7
9	C	12
10	N	5
11	O	4
12	O	2
13	O	3
14	O	1
15	H	30
16	H	29
17	H	31
18	H	19
19	H	20
20	H	18
21	H	22
22	H	23
23	H	21
24	H	25
25	H	24
26	H	26
27	H	27
28	H	28
29	H	15
30	H	16
31	H	17