new index	atom name	original index
1	C	11
2	C	12
3	C	1
4	C	3
5	C	7
6	C	4
7	C	2
8	C	9
9	N	5
10	O	8
11	O	6
12	S	10
13	H	18
14	H	19
15	H	13
16	H	14
17	H	15
18	H	16
19	H	17
