1mol="BH1" Charge="0"
2lab="O1D"	NH="0"
3lab="CGD"	NH="0"
4lab="O2D"	NH="0"
5lab="CED"	NH="3"
6lab="CBD"	NH="1"
7lab="CHA"	NH="0"
8lab="C4D"	NH="0"
9lab="C3D"	NH="0"
10lab="CAD"	NH="0"
11lab="OBD"	NH="0"
12lab="C2D"	NH="0"
13lab="CMD"	NH="3"
14lab="C1D"	NH="0"
15lab="ND"	NH="1"
16lab="CHD"	NH="1"
17lab="C4C"	NH="0"
18lab="C3C"	NH="1"
19lab="CAC"	NH="2"
20lab="CBC"	NH="3"
21lab="C2C"	NH="1"
22lab="CMC"	NH="3"
23lab="C1C"	NH="0"
24lab="NC"	NH="1"
25lab="CHC"	NH="1"
26lab="C4B"	NH="0"
27lab="C3B"	NH="0"
28lab="CAB"	NH="0"
29lab="CBB"	NH="3"
30lab="OBB"	NH="0"
31lab="C2B"	NH="0"
32lab="CMB"	NH="3"
33lab="C1B"	NH="0"
34lab="NB"	NH="1"
35lab="CHB"	NH="1"
36lab="C4A"	NH="0"
37lab="C3A"	NH="1"
38lab="CMA"	NH="3"
39lab="C2A"	NH="1"
40lab="C1A"	NH="0"
41lab="NA"	NH="1"
42lab="CAA"	NH="2"
43lab="CBA"	NH="2"
44lab="CGA"	NH="0"
45lab="O1A"	NH="0"
46lab="O2A"	NH="0"
47lab="C1"	NH="2"
48lab="C2"	NH="1"
49lab="C3"	NH="0"
50lab="C4"	NH="3"
51lab="C5"	NH="2"
52lab="C6"	NH="2"
53lab="C7"	NH="2"
54lab="C8"	NH="1"
55lab="C9"	NH="3"
56lab="C10"	NH="2"
57lab="C11"	NH="2"
58lab="C12"	NH="2"
59lab="C13"	NH="1"
60lab="C14"	NH="3"
61lab="C15"	NH="2"
62lab="C16"	NH="2"
63lab="C17"	NH="2"
64lab="C18"	NH="1"
65lab="C19"	NH="3"
66lab="C20"	NH="3"
67