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-0.4752 0.2809 -0.2537 -0.1115 1.1232 -1.0052 -1.359 -1.6402 1.7487 -0.3798 -0.1901 -0.9615 0.9972 2.0638 0.3213 0.6436 2.1918 1.9962 0.4542 -0.9491 -0.6799 0.4319 1.7292 -2.0799 -1.9763 -2.4623 2.8211 -0.965 -1.2355 0.5089 -0.0186 -1.7025 -1.3092 -0.0057 1.4841 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 035F7A3D00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 121.7657 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 56.076 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 102385 1 17762056949165677572 10930396 42 18197752532661831952 1100329 8 18267871755886144848 11135926 11 18411700968366342807 11719270 70 18409729543084057363 12202916 173 18186795864023554418 12608794 3 18192967513301299308 12925494 130 17770769419697606976 13140716 1 18197223752792684752 1361 2 18412264995570753947 13617811 41 18263096461555762564 13636023 20 18200030621094239121 13692114 37 18200584929479216751 13911987 19 18263380194635776933 14068700 675 18272930527160766945 14117953 113 18410014321243722172 1454969 45 18412261714257379026 14790565 3 18339379525560325056 14910700 183 18411691102499033664 15131766 46 16590859289842514724 15320294 125 18115009854782087626 15328829 1 17560790049027456741 15439362 3 18194117653835586700 15775530 1 17689433785360439216 15927050 60 17833845145949705532 16728300 4 17606658263960658114 18365409 1 18059004124601229527 18681886 176 18410290358438694032 19315092 285 17773309028746761907 19319366 153 18341609304860296047 20028762 73 18202001044625725926 21033648 29 18131063862301922904 21703447 108 17976817588756019267 22224240 67 18201431480860440736 22311459 1 18410857646720508073 22956985 138 17903638480484723050 23559900 14 18411419548886610289 23569917 315 18341620299903246694 23576562 1 18117284871996556724 24771293 8 18202004326324365496 24771750 20 17898592009849354853 3178227 256 18337687389775143561 3882209 13 17684628949559562707 57527358 35 15696615259795396056 59755656 215 18411702058359289855 6004065 56 18411980282436167129 6371009 1 18411420622243623881 6700243 42 16477425569085453270 9961470 85 17983286312241802904 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 716.26 15.56 5.96 1.29 17.39 6.49 -0.03 -4.39 -1.33 -4.49 -1.18 0.18 -0.43 -0.65 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1616.805 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 381.4 Conformer RMSD 7 2012.01.18 1 Diverse Conformer ID List 6 2012.01.18 1 17 22 7 18 29 28 6 23 27 26 11 14 30 16 9 21 13 5 19 2 25 12 4 24 20 10 15 3 8 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 47 1 -0.57 10 0.09 11 -0.14 12 -0.15 13 0.44 15 -0.15 16 0.54 17 0.09 18 -0.15 19 0.48 2 -0.36 20 -0.15 21 -0.15 22 0.49 23 0.08 24 0.63 25 -0.15 26 -0.04 27 0.09 28 -0.15 29 -0.15 3 -0.43 30 -0.15 31 -0.15 32 -0.01 33 -0.15 34 -0.15 35 0.28 36 0.28 37 -0.15 4 -0.28 40 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.57 50 0.15 51 0.15 52 0.15 59 0.15 6 -0.57 7 -0.66 8 0.29 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 7.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 11 1 1 acceptor 1 2 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 5 4 26 28 31 32 rings 5 7 10 11 13 16 rings 5 8 9 12 14 15 rings 6 14 15 20 21 23 25 rings 6 27 29 30 33 34 37 rings 6 9 10 11 12 17 18 rings 37 0 0 0 0 0 0 0 1 1