HMDB0004328 RDKit 3D Temurin 28 29 0 0 0 0 0 0 0 0999 V2000 3.2208 -1.6175 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 -1.0398 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7412 0.2904 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 1.0084 0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 0.7873 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6286 -0.0729 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4385 -1.3967 -0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 -2.3150 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 -1.8517 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0532 -3.1057 -0.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7069 0.7269 0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0719 0.2369 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2946 2.0133 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 3.0082 0.3013 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 2.0454 0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 3.2512 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2372 -2.4479 0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3721 -1.9841 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0113 -0.8980 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 -2.0326 -0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9451 -2.5735 0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 -3.3002 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 0.0890 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7199 1.0883 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2809 -0.5908 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2681 3.9587 0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 3.6751 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 3.0474 0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 6 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 9 2 1 0 15 5 1 0 1 17 1 0 1 18 1 0 1 19 1 0 8 20 1 0 8 21 1 0 8 22 1 0 12 23 1 0 12 24 1 0 12 25 1 0 16 26 1 0 16 27 1 0 16 28 1 0 M END