1mol="2XU"	Charge="0"
2lab="C8"	NH="3"
3lab="C7"	NH="0"
4lab="O7"	NH="0"
5lab="N2"	NH="1"
6lab="C2"	NH="1"
7lab="C3"	NH="1"
8lab="O3"	NH="1"
9lab="C1"	NH="1"
10lab="O1"	NH="0"
11lab="CBC"	NH="2"
12lab="CBD"	NH="2"
13lab="CBE"	NH="3"
14lab="O5"	NH="0"
15lab="C5"	NH="1"
16lab="C6"	NH="2"
17lab="O6"	NH="1"
18lab="C4"	NH="1"
19lab="O4"	NH="0"
20lab="CBG"	NH="1"
21lab="CBM"	NH="1"
22lab="OBK"	NH="1"
23lab="OBF"	NH="0"
24lab="CBI"	NH="1"
25lab="CBL"	NH="2"
26lab="OAJ"	NH="1"
27lab="CBH"	NH="1"
28lab="OAO"	NH="1"
29lab="CBN"	NH="1"
30lab="OBJ"	NH="0"
31lab="CBO"	NH="2"
32lab="CBP"	NH="0"
33lab="CAX"	NH="1"
34lab="NBQ"	NH="0"
35lab="NBR"	NH="0"
36lab="N"	NH="0"
37lab="CA"	NH="2"
38lab="C"	NH="0"
39lab="O"	NH="0"
40lab="CAF"	NH="0"
41lab="CAD"	NH="1"
42lab="CAE"	NH="0"
43lab="OAP"	NH="1"
44lab="CAC"	NH="1"
45lab="CAA"	NH="1"
46lab="CAH"	NH="1"
47lab="H1"	NH="0"
48lab="H2"	NH="0"
49lab="H3"	NH="0"
50lab="H4"	NH="0"
51lab="H5"	NH="0"
52lab="H6"	NH="0"
53lab="H7"	NH="0"
54lab="H8"	NH="0"
55lab="H9"	NH="0"
56lab="H10"	NH="0"
57lab="H11"	NH="0"
58lab="H12"	NH="0"
59lab="H13"	NH="0"
60lab="H14"	NH="0"
61lab="H15"	NH="0"
62lab="H16"	NH="0"
63lab="H17"	NH="0"
64lab="H18"	NH="0"
65lab="H19"	NH="0"
66lab="H20"	NH="0"
67lab="H21"	NH="0"
68lab="H22"	NH="0"
69lab="H23"	NH="0"
70lab="H24"	NH="0"
71lab="H25"	NH="0"
72lab="H26"	NH="0"
73lab="H27"	NH="0"
74lab="H28"	NH="0"
75lab="H29"	NH="0"
76lab="H30"	NH="0"
77lab="H31"	NH="0"
78lab="H32"	NH="0"
79lab="H33"	NH="0"
80lab="H34"	NH="0"
81lab="H35"	NH="0"
82lab="H36"	NH="0"
83lab="H37"	NH="0"
84lab="H38"	NH="0"
85lab="H39"	NH="0"
86lab="H40"	NH="0"
87