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-0.8045 0.7926 1.9951 1.4531 -1.6853 -0.7502 -1.3172 -1.2549 0.0955 0.2787 -1.0865 0.2234 0.5463 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 006270B000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 54.8222 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.327 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10366900 7 18041006124059806408 10967382 1 18410572898830680472 11132069 177 18409727382815364019 11471102 20 18412260631704054752 11578080 2 16413212299464329946 11806522 49 18408323263517183375 12011746 2 18408890603296440046 12236239 1 17749109993658600828 12251169 10 18336259119970562328 12403259 226 18337386046179767076 12403259 415 18334290950917442437 12592029 89 18334573516762897706 13140716 1 18263920106664106178 13675066 3 18260831522751179451 13862211 1 18408880733087359179 14115302 16 18187092779344338054 14178342 30 18051401877910262352 14787075 74 18270112538918805417 15196674 1 18410855477719468225 15375358 24 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18333448742195300457 42630746 31 18413386540285370895 474 4 18411135874327377168 495365 180 17561075960636448410 4990 188 18131639962643441542 5104073 3 18410012139500491553 59755656 215 18263645078448981591 6333272 397 18410853287154350080 633830 44 18341890796731350471 69090 78 18343297093546632487 7364860 26 18342176614031020166 9709674 26 18410298012365924579 9999458 23 18335420166886703398 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 391.01 9.82 2.12 0.93 7.94 0.2 -0.27 -0.56 0.48 -0.48 0.11 -0.64 -0.07 0.41 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 798.906 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 224.7 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 0 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 3 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 3 16 18 19 hydrophobe 6 1 2 3 4 5 7 rings 6 1 3 6 8 14 15 rings 6 2 4 9 10 11 12 rings 19 6 6 0 0 0 0 0 1 1