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