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