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-2.3813 -2.429 -2.556 0.6363 -1.0947 -0.4968 -2.2335 0.8252 -0.245 -1.9833 -1.7522 -1.803 1.0081 -1.8905 -0.4842 -1.8877 2.002 1.3256 1.9356 0.8038 1.0327 0.5088 -0.8131 -0.2299 -1.2317 0.7945 -0.6379 -0.7896 -1.2442 2.5165 3.0199 2.934 1.7517 1.9397 -0.6096 0.9772 0.2384 -1.8675 -1.7421 -1.5784 2.068 2.2424 -1.7919 -2.6156 -0.5138 -2.2707 -1.3685 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 043EB7D300000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 103.7609 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 60.9 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10674148 151 12324241655661261342 10675989 125 18126859415283888209 11204353 107 18262805210791517683 11646440 116 18410298008323911634 11720765 8 18411697729344453273 11763715 3 17979388311212781567 12166972 35 17894919507752162318 12522641 24 18198357332686361875 12838863 1 18334851698133123506 13560911 43 18040998436843942608 1361 2 18342465862693178679 13782708 43 17822586009579372539 13811026 1 18335134280889045180 13835254 42 18129387003705693952 14394314 77 18339371760169881008 14725015 67 18335692833107237688 14931854 50 18262257567826050670 15320295 40 17895185576923950810 15351334 14 18117256234278227351 15351339 4 18115302272195550496 15400415 2 17475237276487676697 15439362 3 18195239155700842209 15890870 6 18263369265041390772 15927050 60 17766000884268062254 16664035 7 18265884771266648930 17492 89 18053671278627027038 18393751 57 18130208455452034218 19026451 147 18408890629055850138 19311894 1 17402341369600404830 19315092 285 17386834029379618634 21133410 58 18338227258854494943 23559900 14 18335979857534895083 24771293 8 18273219690038422456 24771750 20 18047766080740926557 25019877 29 16845290523278407134 4015057 19 18335151912083386251 4066623 53 18334287648694448509 463206 1 18337958990527322062 469060 322 18269573649504182288 4760202 170 18337097992194186061 5265222 85 17327188048365323492 5309563 4 18411423886523867468 6004065 56 18411982502638794986 6669772 16 18124314071439652569 9962374 69 18130216169329660535 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 730.96 17.79 6.03 1.66 36.88 7.53 -0.04 -12.81 4.4 -7.77 -1.08 0.59 0.05 0.74 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1485.009 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 429.8 Conformer RMSD 7 2012.11.26 1 Diverse Conformer ID List 6 2012.11.26 1 44 19 36 27 16 17 45 37 7 30 39 38 43 28 21 22 26 32 8 4 12 42 23 29 40 5 11 20 35 18 3 31 14 15 9 34 41 10 24 13 2 25 33 6 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 26 1 -0.08 11 0.28 12 0.06 15 0.45 16 0.28 2 -0.68 24 0.06 27 0.42 29 0.66 3 -0.68 30 -0.28 31 0.14 32 -0.1 33 0.18 34 -0.11 35 0.2 36 0.18 4 -0.57 5 -0.43 6 -0.57 66 0.4 7 -0.57 71 0.4 78 0.15 79 0.15 9 0.06 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6.6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 2 acceptor 1 2 donor 1 28 hydrophobe 1 3 acceptor 1 3 donor 1 31 hydrophobe 1 37 hydrophobe 1 4 acceptor 1 6 acceptor 1 7 acceptor 5 1 7 33 34 35 rings 6 8 9 10 11 12 15 rings 37 8 7 1 1 1 0 0 1 8