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-0.0704 -0.5263 -0.2905 0.9349 -0.2605 -0.1214 -1.4199 0.5861 0.7964 0.278 1.8974 -0.6054 -0.3124 -0.1158 2.1103 -0.3057 0.242 -0.0805 -1.6442 -0.1353 0.4401 1.0705 -0.1873 0.333 0.0279 -0.4599 0.0391 -1.3631 -0.3856 1.0152 -2.1967 0.866 1.7576 2.7659 1.8827 -0.8481 -1.5093 0.5263 3.0102 2.2674 -0.1823 -1.1591 -0.5166 -1.9877 -2.4449 -0.9736 0.791 -0.1161 0.6636 -0.4376 0.4888 -2.3036 -0.7586 -0.4183 0.3948 -1.3786 2.0341 0.8436 0.9422 -1.5736 -2.7697 -2.9078 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 039656C200000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 90.0348 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 71.221 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10258939 38 16956206185360154529 10622 236 18201431420826181487 10693767 8 18201452337701678478 10928967 22 17703220845398093767 10940486 97 17690573987566516732 10974685 15 17240767341055426995 11069576 57 18342452629956799847 11103572 155 18339085991043415363 11135926 11 18338247049461732505 11136131 41 18333725841349975450 11719270 70 18338788039754096392 12107183 9 17982742866040607057 13540713 5 18128550274982644209 1361 2 18191307293355991949 13692114 37 18051965111637213634 13911987 19 18118423932332585980 15250474 111 18344146982112911011 15274700 147 15010949264676047805 15537594 2 18059293287953917239 15705408 1 18191327995846679372 15950262 2 15287353053446414852 16989378 47 18058185942131974118 17134984 74 18196644323450740215 17138139 8 17772744116151086767 19315092 285 17489575745373178811 19319366 153 18128528465154123340 20028762 73 18271528697437863934 20775530 9 18193562155602419059 21033650 10 16588579795874125053 21133410 171 16958126632674309923 21344244 246 18409451376039091366 23559900 14 18339347592609529729 23569914 152 17687717491044120781 24771293 8 18342459189384269042 312425 83 18114455666028953165 3504750 166 17183620993344358642 3882209 13 18046326566722995202 4015057 19 18335707109282916275 4098825 35 18335699452100324317 4280585 95 18048590422209284218 46194498 28 18040990731108267645 463206 1 18118978991839805683 484989 97 18120951756755709010 6058803 2 18128555776931059840 6669772 16 17556286603275623841 6695519 79 17836940262428151889 7970288 3 17981041921056922126 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 630.74 14.34 5.95 1.55 22.13 4.32 0.18 6.74 -7.89 -11.7 -0.63 1.82 -0.85 -0.95 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1367.244 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 345.7 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 47 31 49 28 71 60 18 65 23 46 4 19 74 43 26 51 59 70 32 39 54 34 63 21 53 9 36 55 37 24 66 30 44 29 69 7 13 22 56 57 45 72 64 50 52 12 16 14 17 6 41 61 68 75 33 58 3 73 35 2 42 48 62 40 20 11 25 8 38 5 10 15 67 27 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 36 1 -0.68 10 0.18 11 0.27 12 -0.18 15 0.45 16 -0.33 17 0.3 18 0.3 2 -0.57 20 -0.15 21 0.28 22 0.27 23 -0.15 24 0.69 25 -0.15 26 -0.15 27 0.08 28 0.06 29 -0.04 3 -0.36 30 0.11 31 0.28 32 0.18 33 0.18 4 -0.02 45 0.27 5 -0.81 51 0.15 52 0.15 53 0.15 54 0.4 55 0.37 6 -0.66 7 0.03 8 -0.49 9 -0.41 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 14 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 1 5 cation 1 7 cation 1 7 donor 1 8 donor 1 9 acceptor 5 4 9 28 29 30 rings 5 7 12 16 19 20 rings 6 19 20 23 25 26 27 rings 6 5 10 11 12 15 16 rings 6 6 10 13 14 17 18 rings 33 1 1 0 0 0 0 0 1 2