1mol="BOU" Charge="0"
2lab="S1"	NH="0"
3lab="C1"	NH="0"
4lab="C2"	NH="1"
5lab="N1"	NH="1"
6lab="C3"	NH="1"
7lab="C4"	NH="1"
8lab="C5"	NH="1"
9lab="O1"	NH="0"
10lab="C6"	NH="3"
11lab="C7"	NH="3"
12lab="C8"	NH="0"
13lab="O2"	NH="1"
14lab="O3"	NH="0"
15lab="N2"	NH="1"
16lab="C9"	NH="0"
17lab="O4"	NH="0"
18lab="C10"	NH="0"
19lab="C11"	NH="1"
20lab="C12"	NH="1"
21lab="C13"	NH="1"
22lab="C14"	NH="1"
23lab="C15"	NH="0"
24lab="C16"	NH="0"
25lab="C17"	NH="1"
26lab="C18"	NH="1"
27lab="C19"	NH="1"
28lab="C20"	NH="1"
29lab="C21"	NH="0"
30lab="C22"	NH="0"
31lab="O5"	NH="1"
32lab="O6"	NH="0"
33