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