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