16745523 -OEChem-03282409433D 34 36 0 1 0 0 0 0 0999 V2000 -2.6933 1.1911 0.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.1312 1.6117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -2.4927 0.4321 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6401 -0.0298 0.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 -0.5202 0.2442 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6056 0.6527 -0.7207 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0029 2.0302 -0.3693 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1289 -0.4508 -0.4840 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0665 -1.3088 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2797 0.8899 0.2313 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5371 2.0418 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6093 -1.3314 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1064 0.6280 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 -1.0427 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 2.6487 0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6913 -0.5045 -0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4276 0.0507 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8638 -2.3210 -0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 0.3877 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3533 2.7253 -1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 -0.2795 -1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -1.8853 0.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -2.0523 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0147 0.8380 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 2.9956 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 2.0532 -1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6532 1.4294 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9753 2.2133 1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 2.5537 1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2398 3.7198 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7286 -0.7811 -0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 -0.9213 2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1588 -3.1193 -0.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -2.6068 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 5 1 0 0 0 0 2 32 1 0 0 0 0 3 12 2 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M END > 16745523 > 0.6 > 1 > 19 1 -0.43 10 0.28 12 0.49 13 -0.29 14 -0.12 16 -0.14 17 0.71 18 -0.3 2 -0.68 27 0.15 3 -0.57 31 0.15 32 0.4 33 0.15 34 0.15 4 -0.57 5 0.34 6 0.14 8 0.14 > 0.8 > 7 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 5 1 8 10 14 17 rings 5 5 6 12 13 16 rings 7 5 6 7 8 9 10 11 rings > 18 > 5 > 0 > 0 > 0 > 0 > 1 > 3 > 00FF843300000001 > 51.2238 > 35.586 > 10967382 1 18410013221357748967 11132069 177 18410289207360720610 116883 192 17982177721042178198 12251169 10 18413390934326954647 12553582 1 18410851040644023463 13140716 1 18267300009465148651 13221675 6 18408608067172487879 14178342 30 18122332751691810417 15196674 1 18338520853610937213 15375462 189 18408895018026883208 15442244 35 18338518525743963335 15536298 74 18200031883735690933 15775835 57 18335147509045341261 16752209 62 18265319622063495125 16945 1 18411408510229620557 17804303 29 18342463625320652821 18186145 218 17968647328703741983 19422 9 18263370204509788073 20559304 39 18410292501743139398 20645477 70 18200594829821173095 20691752 17 17823124795524189177 21267235 1 18337122184642339342 221490 88 18192159401908256498 22445834 79 18410298016628795055 2255824 54 18190465046158297756 2334 1 18122905592880983301 23402539 116 18411133662967820054 23419403 2 15328904589200409543 23463225 33 18337393742502400006 23557571 272 18129945551528379806 23559900 14 18271519883468601096 2748010 2 17687192297562544238 335352 9 18048879598030065037 34934 24 18410007749590305076 352729 6 17545878231032713308 474 4 17532103863335647372 5104073 3 18340209704220398507 7364860 26 18271523220837798024 74978 22 18341330084730203159 7832392 63 18412263964873171469 > 346.95 6.2 2.55 0.9 3.62 0.29 -0.15 -1.88 0.41 -0.71 -0.29 -0.46 0.15 -0.22 > 753.541 > 189.8 > 2 5 10 $$$$