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Backmerge: #1239 CDX: An abbreviation appears in the upper left corne…
…r of a Func… (#1270)
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-INDIGO-08232306022D | ||
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0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
M V30 BEGIN CTAB | ||
M V30 COUNTS 14 14 2 0 0 | ||
M V30 BEGIN ATOM | ||
M V30 1 C 5.8 -8.025 0.0 0 | ||
M V30 2 C 5.8 -9.02542 0.0 0 | ||
M V30 3 C 4.93325 -9.52563 0.0 0 | ||
M V30 4 C 4.93325 -10.5305 0.0 0 | ||
M V30 5 C 5.80218 -11.0253 0.0 0 | ||
M V30 6 C 6.66348 -10.5259 0.0 0 | ||
M V30 7 C 6.66348 -9.52515 0.0 0 | ||
M V30 8 C 10.125 -8.025 0.0 0 | ||
M V30 9 C 10.125 -9.02542 0.0 0 | ||
M V30 10 C 9.25825 -9.52563 0.0 0 | ||
M V30 11 C 9.25825 -10.5305 0.0 0 | ||
M V30 12 C 10.1272 -11.0253 0.0 0 | ||
M V30 13 C 10.9885 -10.5259 0.0 0 | ||
M V30 14 C 10.9885 -9.52515 0.0 0 | ||
M V30 END ATOM | ||
M V30 BEGIN BOND | ||
M V30 1 2 2 3 | ||
M V30 2 1 7 2 | ||
M V30 3 2 6 7 | ||
M V30 4 1 5 6 | ||
M V30 5 2 4 5 | ||
M V30 6 1 3 4 | ||
M V30 7 1 2 1 | ||
M V30 8 2 9 10 | ||
M V30 9 1 14 9 | ||
M V30 10 2 13 14 | ||
M V30 11 1 12 13 | ||
M V30 12 2 11 12 | ||
M V30 13 1 10 11 | ||
M V30 14 1 9 8 | ||
M V30 END BOND | ||
M V30 BEGIN SGROUP | ||
M V30 1 SUP 1 ATOMS=(7 1 2 3 4 5 6 7) BRKXYZ=(9 0.000000 0.000000 0.000000 0- | ||
M V30 .000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.0000- | ||
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00- | ||
M V30 0000) LABEL=Bn SAP=(3 1 0 ) | ||
M V30 2 SUP 2 ATOMS=(7 8 9 10 11 12 13 14) BRKXYZ=(9 0.000000 0.000000 0.000- | ||
M V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0- | ||
M V30 .000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000- | ||
M V30 0.000000) LABEL=Bn SAP=(3 8 0 ) | ||
M V30 END SGROUP | ||
M V30 END CTAB | ||
M END |
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api/tests/integration/tests/formats/ref/AlcoholOxidation_Rxn1.b64cdx
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api/tests/integration/tests/formats/ref/AlcoholOxidation_Rxn2.b64cdx
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api/tests/integration/tests/formats/ref/BuchwaldHartwig_Rxn1.b64cdx
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api/tests/integration/tests/formats/ref/BuchwaldHartwig_Rxn2.b64cdx
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api/tests/integration/tests/formats/ref/CarbonylReduction_Rxn1.b64cdx
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api/tests/integration/tests/formats/ref/CarbonylReduction_Rxn2.b64cdx
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