1mol="654" Charge="0"
2lab="S1T"	NH="0"
3lab="C2T"	NH="0"
4lab="C3T"	NH="1"
5lab="C4T"	NH="1"
6lab="C5T"	NH="1"
7lab="C1I"	NH="0"
8lab="N2I"	NH="0"
9lab="C3I"	NH="1"
10lab="N4I"	NH="0"
11lab="C5I"	NH="1"
12lab="C1"	NH="2"
13lab="C2"	NH="0"
14lab="C3"	NH="1"
15lab="C4"	NH="1"
16lab="C5"	NH="1"
17lab="C6"	NH="1"
18lab="C7"	NH="0"
19lab="C8"	NH="3"
20