HMDB0006897 RDKit 3D Chenodeoxyglycocholoyl-CoA 149155 0 0 0 0 0 0 0 0999 V2000 -7.6520 0.5975 1.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8329 -0.7111 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5818 -1.1207 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3888 -1.3046 0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2636 -1.7286 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 -2.9585 -0.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0031 -0.7409 -0.5697 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 0.9722 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6914 1.2416 1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3348 0.8014 1.6019 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2701 1.3532 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4856 2.2135 -0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 0.8494 1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 1.4941 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4371 1.0875 0.3352 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -0.2507 0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9358 -1.1296 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2465 -0.6352 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -2.0542 0.5991 O 0 0 0 0 0 0 0 0 0 0 0 0 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