new index	atom name	original index
1	C	10
2	C	11
3	C	8
4	C	9
5	C	13
6	C	6
7	C	14
8	C	2
9	N	12
10	N	7
11	O	15
12	O	3
13	O	4
14	O	5
15	S	1
16	H	24
17	H	25
18	H	26
19	H	27
20	H	20
21	H	21
22	H	22
23	H	23
24	H	29
25	H	30
26	H	18
27	H	19
28	H	31
29	H	32
30	H	16
31	H	17
32	H	28
33	H	33
