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