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