1mol="COF" Charge="0"
2lab="N1A"	NH="0"
3lab="C2A"	NH="1"
4lab="N3A"	NH="0"
5lab="C4A"	NH="0"
6lab="C5A"	NH="0"
7lab="C6A"	NH="0"
8lab="N6A"	NH="2"
9lab="N7A"	NH="0"
10lab="C8A"	NH="1"
11lab="N9A"	NH="0"
12lab="C1B"	NH="1"
13lab="C2B"	NH="1"
14lab="O2B"	NH="1"
15lab="C3B"	NH="1"
16lab="O3B"	NH="0"
17lab="P3B"	NH="0"
18lab="O7A"	NH="0"
19lab="O8A"	NH="1"
20lab="O9A"	NH="1"
21lab="C4B"	NH="1"
22lab="O4B"	NH="0"
23lab="C5B"	NH="2"
24lab="O5B"	NH="0"
25lab="P1A"	NH="0"
26lab="O1A"	NH="0"
27lab="O2A"	NH="1"
28lab="O3A"	NH="0"
29lab="P2A"	NH="0"
30lab="O4A"	NH="0"
31lab="O5A"	NH="1"
32lab="O6A"	NH="0"
33lab="CBP"	NH="0"
34lab="CCP"	NH="2"
35lab="CDP"	NH="3"
36lab="CEP"	NH="3"
37lab="CAP"	NH="1"
38lab="OAP"	NH="1"
39lab="C9P"	NH="0"
40lab="O9P"	NH="0"
41lab="N8P"	NH="1"
42lab="C7P"	NH="2"
43lab="C6P"	NH="2"
44lab="C5P"	NH="0"
45lab="O5P"	NH="0"
46lab="N4P"	NH="1"
47lab="C3P"	NH="2"
48lab="C2P"	NH="2"
49lab="S1P"	NH="0"
50lab="C1I"	NH="2"
51lab="C2I"	NH="0"
52lab="O1I"	NH="0"
53lab="C3I"	NH="0"
54lab="F1I"	NH="0"
55lab="F2I"	NH="0"
56lab="F3I"	NH="0"
57