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