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