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