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