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-1.3873 0.8001 -0.8838 1.7378 -2.3571 -2.1677 -2.2491 -0.3623 1.3605 -1.9788 -1.8313 -2.1366 0.2714 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0006C61F00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 80.3377 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 30.526 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10616163 171 18410854330799819243 10618630 7 18408885148302930045 10967382 1 18410572915709901728 11132069 177 18411136952648699569 11552529 35 16987995137052512967 11578080 2 16663446559799334454 12011746 2 18408597055482924663 12236239 1 17775283885306619131 12403259 226 18336539422563976632 12403259 415 18334287674178986404 12403814 3 18131626794716680645 12596599 1 17987536925167566547 12633257 1 16917344857198409336 128620 24 17822010917082978619 13140716 1 18194404617853386995 13214271 11 18411695487518204559 13221675 6 18341892974311365783 13224815 77 18411418410097452849 13544653 18 18187932811108436507 13675066 3 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221490 88 18337956684308946306 22182313 1 17986674770859850462 22854114 59 18410294730915549267 23184049 59 18130793377740203421 23402539 116 18341602741833301518 23557571 272 18343306929280151220 23559900 14 18267861684072070426 26918003 58 18113052740456815563 2748010 2 18411973672080792813 2871803 45 18335134280482681410 296302 2 18060136578310971772 3286 77 18186799171496381774 335352 9 18338232661390044653 34934 24 18411693279926080735 350125 39 18410011035931694664 4214541 1 18409165480892296953 5104073 3 18410289181686246608 542803 24 14908181953874045467 59755656 215 18335704884564527910 7097593 13 17393592593721149203 7495541 125 16588596425559914961 9709674 26 18341050709591742639 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 430.15 9.71 2.1 1.09 0.15 0.56 0.31 -1.44 -2.03 -0.23 -0.1 0.33 -0.22 0.49 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 915.078 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 243.8 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 10 1 -0.28 12 -0.05 14 -0.05 16 0.09 18 0.28 2 -0.68 32 0.1 35 0.1 51 0.4 9 0.09 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 6 1 2 acceptor 1 2 donor 5 6 8 17 18 20 rings 6 3 4 5 7 11 13 rings 6 4 5 6 8 10 15 rings 7 1 3 7 9 12 14 16 rings 21 9 9 0 0 0 0 0 1 1