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