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