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-1.6337 -0.8731 0.1245 0.9208 -0.6661 0.8362 -1.1965 0.2741 -0.7006 -2.3597 -1.5662 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 032E063200000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 75.0684 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 45.691 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10076449 9 18339366361590785435 10299344 5 14908183070876791638 10577160 103 17023757860546471009 10595046 47 18339360760573148978 10669705 176 18335143090431712174 10670039 82 17847062151909545856 10674148 151 14764630811369802134 11135609 187 18040994004052513107 11387372 6 13613944648383165093 11456790 92 8502372300101871135 11973863 73 12750971975071165646 12082328 90 18059859424741274252 12107183 9 9079115566088362994 12373685 5 15719384062679218632 12788726 201 17988637450966573323 13673619 4 15339116836325480778 13690498 29 17560798801495897552 14118638 360 17846219913123178646 14444916 359 15339122346430820973 14675019 173 13758076307231541298 14840074 17 17203601584767797951 14856354 85 17703505580133559231 150020 25 18410290332631700342 15003188 100 18334012822474382348 15021287 119 11167932568128900715 15064981 194 18192728932378985134 15183329 4 17704352165611439358 15361156 5 15410320173978764132 15461852 350 17967536796321844254 15537594 2 16702291335062089655 15721738 202 17918272060825889288 1577012 14 18270968943151120584 16994733 274 16951116267427280973 18335252 98 18187366536782295731 18603816 31 12319445593555339957 18643901 69 15841556275276610780 20105231 36 17988926694927627935 20554085 129 14996274821233914689 21150785 3 18260267460606956886 21403212 168 8862950472192957345 21639891 77 12757738408531780717 21792961 116 14333137321682829328 21859007 373 9150911480696565683 24180151 214 18259984847068359611 2838139 119 9295288348978009683 3552219 110 18202293519684108201 4258327 124 17313961834706458334 4325135 7 18334575754409125551 4366758 6 13767919135370169449 439807 62 15123514696994688948 44317340 157 18201150049044490068 484989 97 18265901435154558778 497634 4 18339077082378650005 57366028 249 18127699438262828104 6058803 2 17836930001661428834 6371380 46 12535344614548043767 6691757 9 13695874705381116673 70634741 139 18408885127344824459 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 620.55 24.31 2.68 1.82 33.07 0.22 -0.07 0.81 11.59 -1.78 -1.31 -1.63 -0.75 -1.32 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1314.636 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 350.2 Conformer RMSD 7 2011.09.13 1 Diverse Conformer ID List 6 2012.02.08 1 167 20 44 53 87 104 77 129 142 149 103 100 37 126 118 153 82 17 106 114 171 27 175 92 138 98 70 158 132 75 68 141 35 146 180 58 30 154 161 11 115 164 119 56 179 143 52 152 45 182 79 125 94 43 124 144 69 159 157 168 85 55 109 130 8 23 95 47 162 60 181 173 42 74 165 14 89 90 148 139 160 155 41 101 102 7 19 137 183 110 170 108 135 172 80 32 49 39 117 64 66 36 111 88 51 174 113 61 50 59 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