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