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