1mol="IT1" Charge="0"
2lab="C2"	NH="0"
3lab="C3"	NH="0"
4lab="C4"	NH="0"
5lab="C5"	NH="0"
6lab="C6"	NH="1"
7lab="N"	NH="2"
8lab="CA"	NH="1"
9lab="C"	NH="0"
10lab="O"	NH="0"
11lab="CB"	NH="2"
12lab="CG"	NH="2"
13lab="CD"	NH="2"
14lab="CE"	NH="2"
15lab="NZ"	NH="0"
16lab="OP1"	NH="0"
17lab="P"	NH="0"
18lab="OP2"	NH="1"
19lab="OP3"	NH="1"
20lab="OP4"	NH="0"
21lab="C5A"	NH="2"
22lab="C4A"	NH="1"
23lab="O3"	NH="1"
24lab="N1"	NH="0"
25lab="C2A"	NH="3"
26lab="OXT"	NH="1"
27