1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22
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CHEBI:30113
Marvin 03261211572D
8 8 0 0 0 0 999 V2000
-2.1458 1.2083 0.0000 Cl 0 0 0 0 0 1 0 0 0 0 0 0
-2.1458 0.0416 0.0000 Cl 0 0 0 0 0 1 0 0 0 0 0 0
-1.5624 0.6250 0.0000 Al 0 5 0 0 0 4 0 0 0 0 0 0
-0.9790 1.2083 0.0000 Cl 0 3 0 0 0 2 0 0 0 0 0 0
-0.9790 0.0219 0.0000 Cl 0 3 0 0 0 2 0 0 0 0 0 0
0.1876 1.2083 0.0000 Cl 0 0 0 0 0 1 0 0 0 0 0 0
-0.3826 0.6250 0.0000 Al 0 5 0 0 0 4 0 0 0 0 0 0
0.1876 0.0416 0.0000 Cl 0 0 0 0 0 1 0 0 0 0 0 0
3 1 1 0 0 0 0
3 4 1 0 0 0 0
3 2 1 0 0 0 0
3 5 1 0 0 0 0
7 4 1 0 0 0 0
7 5 1 0 0 0 0
7 6 1 0 0 0 0
7 8 1 0 0 0 0
M CHG 4 3 -1 4 1 5 1 7 -1
M END
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