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