new index	atom name	original index
1	C	15
2	C	19
3	C	17
4	C	9
5	C	10
6	C	13
7	C	14
8	C	7
9	C	12
10	C	8
11	C	11
12	C	6
13	C	5
14	C	4
15	O	2
16	O	18
17	O	16
18	O	3
19	O	1
20	H	23
21	H	24
22	H	25
23	H	31
24	H	30
25	H	29
26	H	28
27	H	27
28	H	26
29	H	20
30	H	21
31	H	22
