1mol="433" Charge="0"
2lab="C1A"	NH="0"
3lab="O1C"	NH="0"
4lab="O1B"	NH="1"
5lab="C1D"	NH="0"
6lab="C1X"	NH="3"
7lab="C1Y"	NH="3"
8lab="O1E"	NH="0"
9lab="C1F"	NH="0"
10lab="C1G"	NH="1"
11lab="C1I"	NH="1"
12lab="C1K"	NH="0"
13lab="C1J"	NH="1"
14lab="C1H"	NH="1"
15lab="C1L"	NH="2"
16lab="C1M"	NH="2"
17lab="C1N"	NH="2"
18lab="N2B"	NH="0"
19lab="C2C"	NH="2"
20lab="C2A"	NH="0"
21lab="O2A"	NH="0"
22lab="N3A"	NH="1"
23lab="C3B"	NH="0"
24lab="C3C"	NH="1"
25lab="C3E"	NH="1"
26lab="C3G"	NH="1"
27lab="C3F"	NH="0"
28lab="CL3F"	NH="0"
29lab="C3D"	NH="0"
30lab="CL3D"	NH="0"
31lab="C2D"	NH="2"
32lab="C2E"	NH="0"
33lab="C2F"	NH="0"
34lab="CL2F"	NH="0"
35lab="C2H"	NH="1"
36lab="C2J"	NH="1"
37lab="C2I"	NH="1"
38lab="C2G"	NH="0"
39lab="F2G"	NH="0"
40