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-2.1788 -2.0828 -2.2575 -2.3956 -2.2656 1.9975 2.2538 2.5249 0.2459 -1.1641 0.42 0.0443 0.9123 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 006C39B100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 81.7525 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 35.61 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 18337095883433776720 10967382 1 18410575059009482110 11132069 177 18334298677774136503 12011746 2 18411421700886368646 12236239 1 17704069565121006261 12403259 415 18335413578380984756 12403814 3 17748827428002842413 12507557 5 18335417975984098217 12553582 1 18336847332874392861 12633257 1 18341039792407336152 128620 24 17894351072602978285 13140716 1 18265619955603091305 13214271 11 18343581858942857327 13224815 77 18411420622016159783 13675066 3 18040720272548402465 14178342 30 18339372936847611531 14223421 5 18339643321902246310 14341114 176 18411704262204929552 14341114 328 18202005451510350984 14787075 74 18338231686543127570 14790565 3 18193565686445525868 15163728 17 14978574784956254225 15196674 1 18410574019553498018 15209294 21 18059866042932553593 15375358 24 18408885127054719499 15536298 74 18342742896910666238 15788980 27 17821728351105563945 16945 1 18338514110533543855 17349148 13 17967816063321055888 1813 80 17095523977013744446 18186145 218 18412830183296484324 200 152 18201430394297063583 21033648 29 18189034482773122068 21267235 1 18409737291231465507 21421861 104 18042683893015528626 22182313 1 18042682806172342831 22854114 111 18408326587705696094 22854114 59 18410575089010858818 23402539 116 18271799155232571180 23557571 272 18059016201753560735 23559900 14 18413669102569302414 26918003 58 18409163316033497081 2838139 119 15984242180626805576 296302 2 16343705430267487550 335352 9 18410573968024349374 34934 24 18411132507542391863 350125 39 18409449211312549804 351380 180 18342172280556445272 3545911 37 18409729551663098095 3633792 109 18270675343571605213 4214541 1 18410854382270718689 474 4 18272088322685729920 5104073 3 18411699923992789610 542803 24 17603307055039072956 59755656 215 18337111172731242990 633830 44 18060143154259375676 69090 78 18341890818301333510 7364860 26 18270965622640623870 9709674 26 18411425007209989230 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 441.01 10.06 2.03 1.17 3.12 0.55 0.26 -1.13 -2.5 0.01 -0.07 -0.58 -0.3 0.13 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 944.493 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 243.6 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 11 1 -0.68 19 -0.29 2 -0.57 20 0.06 21 -0.14 22 0.49 48 0.15 51 0.4 52 0.15 7 0.14 8 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 7 1 1 acceptor 1 1 donor 1 2 acceptor 5 3 4 8 11 14 rings 6 3 4 5 6 9 10 rings 6 5 6 7 12 13 15 rings 6 7 13 19 20 21 22 rings 22 7 7 0 0 0 0 0 1 2