1mol="ML9" Charge="0"
2lab="C14"	NH="1"
3lab="C15"	NH="1"
4lab="C18"	NH="1"
5lab="C13"	NH="0"
6lab="C5"	NH="0"
7lab="C6"	NH="0"
8lab="C4"	NH="0"
9lab="C16"	NH="0"
10lab="C2"	NH="0"
11lab="C10"	NH="1"
12lab="C9"	NH="0"
13lab="C8"	NH="0"
14lab="C23"	NH="2"
15lab="C27"	NH="2"
16lab="C24"	NH="2"
17lab="C26"	NH="2"
18lab="C22"	NH="1"
19lab="C25"	NH="1"
20lab="C21"	NH="3"
21lab="C20"	NH="3"
22lab="C30"	NH="2"
23lab="C29"	NH="2"
24lab="N17"	NH="0"
25lab="N1"	NH="0"
26lab="N3"	NH="0"
27lab="N7"	NH="0"
28lab="N12"	NH="2"
29lab="O11"	NH="0"
30lab="O31"	NH="1"
31lab="O19"	NH="0"
32lab="O28"	NH="0"
33