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0 0 0 0 0 0 0 0 0\n 16.1701 -3.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0967 -2.5194 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 20.0967 -2.5194 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 12 10 2 0 0 0 0\n 4 9 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 8 2 0 0 0 0\n 5 2 1 0 0 0 0\n 6 2 2 0 0 0 0\n 7 2 2 0 0 0 0\n 8 12 1 0 0 0 0\n 9 11 2 0 0 0 0\n 15 14 2 0 0 0 0\n 16 14 1 0 0 0 0\n 17 15 1 0 0 0 0\n 18 16 2 0 0 0 0\n 19 21 1 0 0 0 0\n 13 14 1 0 0 0 0\n 20 16 1 0 0 0 0\n 21 30 2 0 0 0 0\n 22 17 1 0 0 0 0\n 23 19 1 0 0 0 0\n 24 19 2 0 0 0 0\n 25 19 2 0 0 0 0\n 26 20 1 0 0 0 0\n 27 15 1 0 0 0 0\n 28 20 2 0 0 0 0\n 29 31 2 0 0 0 0\n 30 32 1 0 0 0 0\n 31 22 1 0 0 0 0\n 32 22 2 0 0 0 0\n 17 18 1 0 0 0 0\n 21 29 1 0 0 0 0\n 13 3 2 0 0 0 0\n 10 3 1 0 0 0 0\n 11 10 1 0 0 0 0\nM CHG 6 1 1 5 -1 23 -1 26 -1 33 1 34 1\nM STY 1 1 MUL\nM SAL 1 3 1 33 34\nM SPA 1 1 1\nM SDI 1 4 19.6767 -2.9394 19.6767 -2.0994\nM SDI 1 4 20.5167 -2.0994 20.5167 -2.9394\nM SMT 1 3\nM END", "smiles": 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