12731048 -OEChem-04162410223D 61 64 0 1 0 0 0 0 0999 V2000 -4.9501 -1.1703 -0.5472 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.4421 -0.8441 0.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1653 -1.5898 -1.1798 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 0.8042 -0.3086 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6963 0.5789 1.0681 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4634 1.0926 -0.2062 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1663 -0.1224 0.4764 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7294 0.0582 0.5899 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0483 -0.6631 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 0.4457 0.6511 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4791 -0.5105 1.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 1.8401 -0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0791 1.3490 -1.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 1.5036 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 0.4829 -0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5733 1.7819 2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 1.6034 -1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3485 -1.3030 1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 1.1356 1.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8521 -1.3838 0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3867 -0.0633 -1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1971 -1.0773 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -2.9443 -1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3278 -0.0274 -1.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3083 -0.9767 0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1437 -0.1181 -0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6151 1.9943 0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0015 -0.9796 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2528 -1.5547 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4761 -0.8583 2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 0.6229 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7061 0.2291 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8789 -1.4643 2.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8862 1.7691 -2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6607 2.8623 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 2.2200 -2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 0.4925 -2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 2.4144 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9294 1.3755 -1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 1.5612 2.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5371 2.0221 2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 2.6968 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7538 2.5409 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 1.7536 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 -2.1158 0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -1.5078 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 0.8139 2.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1871 1.3545 1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 2.0830 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 -2.3995 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 -0.6882 1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7505 0.2551 -2.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9772 -3.1752 -1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2385 -3.0941 -1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8013 -3.6465 -0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 0.0749 -2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1245 -0.5084 -2.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7568 0.9341 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1188 -1.6279 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3595 0.0564 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2809 -1.2411 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 10 1 0 0 0 0 3 22 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 M END > 12731048 > 0.8 > 1 > 14 1 0.54 10 0.28 15 -0.28 17 0.14 2 -0.58 20 0.06 21 -0.14 22 0.49 23 -0.08 24 -0.08 25 -0.08 3 -0.57 52 0.15 8 0.14 > 3.8 > 5 1 3 acceptor 5 4 5 10 12 14 rings 6 4 5 6 7 9 11 rings 6 6 7 8 13 15 17 rings 6 8 15 18 20 21 22 rings > 25 > 6 > 0 > 0 > 0 > 0 > 1 > 5 > 00C242A800000001 > 88.2068 > 25.468 > 10 15 13758351168090107050 10366900 7 16588029004466677012 10498660 4 14634874158319518972 10554248 39 15574714656551237410 10693767 8 17968084305293421610 11796584 16 18131354063919104703 11961588 58 14418137339414597624 12011746 2 16805610261017554302 12166972 35 18408889550528630201 12236239 1 18409457985619245945 12596602 18 18131912646518189120 12633257 1 14189568658856401149 12788726 201 18188197699111776441 12969540 114 15502369037167718155 13533116 47 18336552719260453180 13544653 18 16487255521497052987 13583140 156 16701455633299933160 13782708 43 18131347509788721334 14251751 18 18060136565531961551 14251764 30 17916864750683849991 14341114 328 11239992373832171754 14739800 52 8069751736990590342 14848178 5 18130781308972201615 14931854 50 17095531647915447262 15142383 8 15769783411837261219 15183329 4 17022895740583039007 15188451 53 18059568083533822135 15238133 3 8718828691395361342 15788980 27 17203607068976771777 16752209 62 17458339706834161632 17349148 13 18408892832015103955 1813 80 16630246991240960161 18222031 100 18333729105139341796 18785283 64 14835543886316012690 19377110 9 14764337284387129218 19784866 240 18413113857328111887 1979834 28 13038916559292629821 200 152 18334014990852494545 20645477 70 17313388958513864276 20739085 24 13613975451497922345 20775438 99 17757821604479599807 21267235 1 18040726870214170779 21521239 73 17822289141244518195 21637258 2 17846493747215653479 221357 26 17458060482662589261 22182313 1 16879364517445875265 22393880 68 17385998499073126023 23379529 103 17975978988381996883 23402539 116 17967814912080085477 23557571 272 17489316248118634937 23559900 14 17822860891280103924 23569914 2 12110023997636265710 25122255 55 17988933257568974158 2838139 119 12396292681887325799 3004659 81 18410008857897920447 3286 77 18201999919808712800 3472631 163 11314316061229626162 3680242 22 12895074003267291758 392239 28 14692569926990877671 463206 1 18341047531733304955 465052 167 17060339664379350758 5104073 3 16773800302735759155 59755656 215 18130508539873269807 7495541 125 17704072927764121792 7808743 9 11746937611518168423 960060 61 17022902346068647454 9849439 229 8140157972787665727 > 520.96 13.49 2.09 1.94 2.16 0.44 0.21 8.86 -4.58 0.93 -0.43 -0.05 -0.29 -0.62 > 1079.6 > 304.3 > 2 5 10 $$$$