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Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0095A16E00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 134.0654 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 50.858 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10169797 241 16816284590710973187 11115154 58 18266728273032669367 11331351 85 18200598115935806587 11505856 67 18336277777013915925 11513181 2 18339940267989682254 11578080 2 17056444039048006181 11763715 3 18267317597414313263 11991303 11 18123484790532207357 12293681 160 17752764907521513282 12522641 24 17686624950428769531 12633046 712 17274833415408313322 12788726 201 18338221713992900801 13690498 29 18270420320861062982 13757389 114 18193574263025341356 13911987 19 17826799436552018438 140371 6 17973732668365436200 14790565 3 18118413838652914349 15200665 1 18341054004527984411 15324884 4 17185610551191363320 15361156 5 18338251417939812582 15419009 47 18050853217767098494 15484559 13 17325774677970129731 15968369 153 18336560390029651600 16114785 44 18262812773631683963 1813 80 17914342522253784455 18393751 57 17337285920921778416 19311894 1 18265891355129772874 20587220 46 14536569272112529885 21120745 212 18339652260035956389 21641784 216 18266751361879930156 23558518 356 18334853879543336738 23559900 14 17895180152496475890 24771750 20 16890335612097779303 283562 15 18262785358866242490 3388396 114 18047769362296868836 3610482 184 17824853078070483934 4058900 60 17402063196926167577 4353968 344 18339089306657415412 59444896 2 13848793713278372539 6004065 56 17617929674756627139 6058803 2 18261386707588320072 6679774 75 17252303107985674139 70251023 43 18270394017938009794 7399639 24 17914877967489349608 9658208 31 18126837192890022144 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 727.12 10.48 7.9 2.14 11 9.54 -0.03 -1.84 -4.14 -14.74 -0.9 0.29 -0.98 -3.34 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1572.17 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 396.4 Conformer RMSD 7 2009.12.11 1 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 35 1 -0.43 10 0.14 14 0.28 15 -0.28 18 -0.14 19 0.45 2 -0.57 20 0.14 21 -0.14 22 -0.14 23 0.14 24 0.34 25 -0.14 26 0.06 27 0.66 28 -0.15 29 -0.15 3 -0.56 30 0.49 31 -0.15 32 -0.15 33 0.06 34 0.1 35 0.28 36 0.37 37 0.37 4 -0.57 5 -0.57 58 0.15 6 -0.84 61 0.15 62 0.15 63 0.15 64 0.15 9 0.34 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 8.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 10 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 5 7 8 9 12 13 rings 6 10 15 17 18 20 22 rings 6 18 22 23 25 26 30 rings 6 21 28 29 31 32 34 rings 6 7 8 10 11 14 15 rings 37 5 5 0 0 0 0 0 1 10