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