2320898 -OEChem-03292403583D 40 42 0 0 0 0 0 0 0999 V2000 1.2215 0.8917 -0.5532 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4917 0.9385 1.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 0.2849 -1.0621 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -2.6752 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5351 -1.5916 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -2.7699 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8474 -0.2580 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 -1.4577 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4448 -4.0218 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.1741 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5284 0.8899 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7137 -1.3838 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9903 1.0124 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5004 -0.1443 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7328 1.1888 -1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 0.4809 1.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1114 1.2992 -1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4041 1.6498 1.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8353 1.0499 1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7472 1.4239 -0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6811 1.2295 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9658 2.1370 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 -2.4038 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -1.5536 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 -1.8715 -1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 -3.0831 -1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 -3.5473 0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 -3.9597 0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5824 -4.3469 -0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8732 -4.7949 0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0138 1.8465 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2973 -2.2934 0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 1.2418 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 0.0928 2.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7408 1.4392 -1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 2.1802 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2299 0.9887 2.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1632 1.7620 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7533 1.3130 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 3.0463 0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 13 1 0 0 0 0 2 19 2 0 0 0 0 3 14 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 21 2 0 0 0 0 17 35 1 0 0 0 0 18 22 2 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END > 2320898 > 0.6 > 5 11 16 13 18 4 9 14 15 1 12 8 17 2 10 3 6 7 > 30 1 -0.57 10 0.54 11 -0.18 12 -0.18 13 0.34 14 0.34 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.16 2 -0.62 20 0.16 21 -0.15 22 -0.15 3 -0.62 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 40 0.15 5 0.14 6 0.14 7 -0.12 8 -0.12 > 2.6 > 6 1 1 acceptor 1 2 acceptor 1 3 acceptor 6 2 13 15 17 19 21 rings 6 3 14 16 18 20 22 rings 6 4 5 6 7 8 10 rings > 22 > 0 > 0 > 2 > 0 > 0 > 1 > 1 > 00236A0200000005 > 69.202 > 30.45 > 10074138 170 18043515316990199299 10090160 65 18337384951105219589 10493431 412 18409731780809185989 10498660 4 18342740762617992280 10670039 82 18337967675384192428 12236239 1 17775000138624765285 12390115 104 18341906228438159307 12403259 118 17457782297367473165 12403259 415 18189054205283577013 12596602 18 16298389067156356568 12633257 1 18337372934029780016 12788726 201 18046896362358881778 12892183 10 16732980890652270225 12969540 114 18408878521432032797 13583140 156 16298651863230022301 13631057 29 18129367359037089263 13911987 19 18334856113158920685 13955234 65 18266458702713617290 1420 369 7925914785507169608 14528608 73 18060695083216263669 146900 427 18341898437905535529 14787075 74 18131064927227055657 14790565 3 18340492158049413841 14848178 96 18342736312683675032 15778101 99 18337956817906892436 15806764 133 17629500837007680320 15885798 251 9079113371106802086 1813 80 8142081000636803731 18222031 100 7853568023973826392 19784866 140 11167945757656838429 204376 136 18409449163708810663 21033648 29 18335969892135576269 21049683 118 18264464304542381027 21236236 1 18340486776481440959 22079108 93 18342739628677729465 22182937 141 18270121343485776234 22224240 67 18410863162070075849 22950370 63 9655288276478664901 23227448 37 18337110188809068964 23558518 356 17755581899288207456 23559900 14 16661781938123880267 3004659 81 12175903251591085260 314173 85 8574711308147585893 3178227 256 18119538639195705786 335352 9 18411138009854531886 34797466 226 14907885116079255681 350125 39 18264488374113743028 4340502 62 18411139117523310759 474 4 18343297054818028393 5104073 3 18408601465686903074 53917941 68 18338783611595159735 56616090 163 18411708698974900062 6034566 193 18188781685081712964 633830 44 18058174921145151767 7808743 9 18263927799319947540 8988823 20 13551483599915426318 960060 61 10807923895129948248 > 436.92 11.8 3.25 1.15 2.6 3.98 0.16 -11.24 0.77 0.33 0.29 0.04 -0.49 0.36 > 946.484 > 236.3 > 2 5 10 $$$$