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