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* Add support for dative bonds in MOL files Dative bonds cannot be read in mol files V2000. (really not supposed to be, but some software systems put them in there anyway) * Add documentation about dative bonds in V2000 * suggestion from review --------- Co-authored-by: Tad Hurst <tad.hurst@collaborativedrug.com> Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
17 lines
612 B
Plaintext
17 lines
612 B
Plaintext
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MJ211800
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6 5 0 0 0 0 0 0 0 0999 V2000
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0.2750 0.4763 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1374 1.1907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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1.1000 0.4763 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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0.1374 -1.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.2750 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.1000 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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1 3 1 0 0 0 0
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4 5 1 0 0 0 0
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5 6 1 0 0 0 0
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5 1 9 0 0 0 0
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M END
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