88 lines (85 with data), 3.3 kB
9JZ_1_3HL5
RDKit 3D
37 40 0 0 0 0 0 0 0 0999 V2000
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6.2930 9.7010 -20.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.6220 8.8150 -23.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 31 1
M END
> <_TriposChargeType> (1)
USER_CHARGES
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