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1.4623 1.6086 -1.5011 -1.6473 1.4566 1.602 -1.4943 -1.6403 -0.0184 -0.019 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001570800000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 102.801 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 30.527 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10050765 1 17978509732987833666 10411042 1 18410575084663663697 10930396 42 18197473256676111186 1100329 8 18338799047238311026 12058002 1 17414754039180003999 12788726 201 18334293137725326162 12838862 33 18339345422939414806 13617811 41 18410014321512734294 14068700 675 18131351929568525481 14068700 686 18127408947695549382 14117953 113 18413108363980765503 14394314 77 18411698785694697027 14395042 24 18334010558699966016 14725015 67 18341044151957273576 14849402 71 18338523061857545681 14918310 93 17273992250073705535 14937079 2 18339079409829333937 14955137 171 18336829792027346627 15131766 46 16373281323294537262 15198563 99 18339930294559351252 15439362 3 18123185976863096113 15927050 60 17764031263816494420 16087824 20 18339079290508973597 18681886 176 18340761633150886627 19301679 30 18338515210694628666 19611394 137 18115321088869936851 19841028 212 17313938620540716602 21049683 271 18259989305345158445 21792961 116 18187917340103759527 21796203 349 18119841168122460329 22311459 1 18411699889575352838 23576562 1 18267019655928843319 24180151 248 18057334881240382470 24771293 8 18202291277104108467 24771750 20 18047203126128866188 24893992 56 18339643438900909683 25019877 29 17346600767992887430 283562 15 18339082558097819208 3178227 256 18337401517015964515 335352 9 18410855494604458311 469060 322 18268444455078166968 484989 97 18334855017647049093 5219985 9 18413106164757328865 57527358 35 15265681459655205042 6004065 56 18411420639681696003 6700243 42 17841469018390956262 9896288 288 18055354643644975904 9961470 85 18055345001111100584 9981440 41 18048882892940218960 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 699.7 19.54 6.43 0.8 0 8.81 -0.01 -11.6 -0.34 -0.12 0.49 0.11 -0.1 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1596.165 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 332.4 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 48 10 -0.15 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.07 20 -0.07 21 -0.07 22 -0.07 23 0.07 24 0.07 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 -0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 0.07 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 6 0.07 9 -0.15 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 6 6 1 2 3 4 5 6 rings 6 1 2 7 8 9 10 rings 6 23 25 27 29 31 33 rings 6 24 26 28 30 32 34 rings 6 3 4 11 12 15 16 rings 6 7 8 13 14 17 18 rings 34 0 0 0 0 0 0 0 1 1