new index	atom name	original index
1	C	12
2	C	13
3	C	11
4	C	10
5	C	9
6	C	14
7	C	8
8	C	15
9	C	7
10	N	6
11	O	2
12	O	3
13	O	4
14	O	1
15	O	5
16	H	30
17	H	29
18	H	28
19	H	32
20	H	31
21	H	27
22	H	25
23	H	26
24	H	23
25	H	24
26	H	21
27	H	22
28	H	20
29	H	19
30	H	17
31	H	18
32	H	16