com.actelion.research.chem.contrib.test.test-diastereo-3d.sdf Maven / Gradle / Ivy
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testDiaID-diastereo.cdx
ChemDraw04221009512D
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$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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testDiaID-diastereo.cdx
ChemDraw04221009512D
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$$$$
testDiaID-diastereo.cdx
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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$$$$
testDiaID-diastereo.cdx
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$$$$
testDiaID-diastereo.cdx
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$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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1.2417 -0.7762 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2480 0.7471 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0989 1.3838 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0393 -3.1165 -0.7070 H 0 0 0 0 0 0
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0.2361 1.1657 -1.5875 H 0 0 0 0 0 0
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1.3902 -1.0015 -0.9814 H 0 0 0 0 0 0
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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0.2504 2.8527 0.4236 H 0 0 0 0 0 0
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1.7410 0.6298 -0.3581 H 0 0 0 0 0 0
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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1.8614 1.3183 0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
16 16 0 0 0 0 0 0 0 0999 V2000
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
20 20 0 0 0 0 0 0 0 0999 V2000
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
27 28 0 0 0 0 0 0 0 0999 V2000
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
19 19 0 0 0 0 0 0 0 0999 V2000
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
36 36 0 0 0 0 0 0 0 0999 V2000
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3.9979 1.6122 0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7966 0.9328 0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
27 26 0 0 0 0 0 0 0 0999 V2000
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-0.5235 1.0056 0.3222 H 0 0 0 0 0 0
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M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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0.6101 0.8377 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5961 -0.5820 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8357 1.6598 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6439 1.4853 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8239 0.7502 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2382 1.1121 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9437 1.9311 0.1544 H 0 0 0 0 0 0
3.3931 0.5100 1.0399 H 0 0 0 0 0 0
3.3920 0.5095 -0.7286 H 0 0 0 0 0 0
1.6360 -2.2824 0.1501 H 0 0 0 0 0 0
-0.7092 2.5424 0.1499 H 0 0 0 0 0 0
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6 17 1 0 0 0
4 18 1 0 0 0
M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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6 16 1 0 0 0
3 17 1 0 0 0
M END
$$$$
testDiaID-diastereo.cdx
ChemDraw04221009512D
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0.4724 1.5063 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$