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