33597 -OEChem-03292408263D 51 54 0 1 0 0 0 0 0999 V2000 -0.6775 0.6567 -0.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3039 0.2168 1.8397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1626 1.1956 2.0599 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9585 -0.2363 0.7674 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8231 0.9878 -1.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 1.1480 0.0669 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2203 1.5627 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9903 -0.5133 -1.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6781 0.3656 1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8421 0.8327 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6798 -1.1934 -0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2184 1.1163 -0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 0.1779 0.6344 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3150 2.5508 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6805 0.7611 -0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3955 3.1828 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2673 2.0293 -1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 0.7393 0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -1.2833 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 -1.5837 -1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 -2.2613 1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1804 -2.9221 -1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 -3.5997 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -3.9301 -0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 1.4859 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 2.2156 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8577 1.4399 -1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1542 2.6372 -0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 -0.9786 -1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5921 -0.6523 -2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0511 -0.4393 1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8796 1.0403 2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0609 1.5499 1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8120 0.4057 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6151 -1.6649 -0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 -2.0130 0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6885 1.1532 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 2.6160 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3687 3.0945 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8033 -0.0938 -1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2169 0.5330 0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9793 3.9203 -0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9435 3.7022 -1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 1.9804 -2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3169 2.1602 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 1.0332 2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1649 -0.8266 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 -2.0368 2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0344 -3.1796 -2.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5303 -4.3849 1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2109 -4.9721 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 46 1 0 0 0 0 3 18 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 16 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 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 21 23 2 0 0 0 0 21 48 1 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 M END > 33597 > 0.8 > 3 20 71 84 99 43 38 30 80 87 101 70 96 31 92 39 95 63 47 69 28 102 10 51 100 98 62 23 35 107 105 13 83 75 76 19 61 34 24 41 89 74 82 94 64 49 78 57 81 18 103 25 4 93 68 33 36 97 44 22 6 8 65 58 90 85 48 66 56 104 91 46 59 37 29 32 2 11 1 72 106 73 27 52 26 7 15 67 53 21 79 50 60 9 16 5 86 77 12 88 54 17 45 14 40 42 55 > 22 1 -0.43 10 0.27 11 0.27 13 0.48 18 0.66 19 -0.14 2 -0.68 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 3 -0.57 4 -0.81 46 0.4 47 0.15 48 0.15 49 0.15 50 0.15 51 0.15 6 0.28 9 0.27 > 7.2 > 7 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 cation 5 12 14 15 16 17 rings 6 19 20 21 22 23 24 rings 8 4 5 6 7 8 9 10 11 rings > 24 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 0000833D00000003 > 67.6427 > 35.53 > 10369192 42 18042704951050601573 10871710 139 16097726309754888860 11421498 54 17987817257820016937 11488393 25 18267608873781466226 121448 382 18055344992631441420 12156800 1 17254600438377957183 12553582 1 17691699887067365851 12592029 89 18334297569799116488 12730499 353 18334305270702053385 12788726 201 17399506214306141746 13004483 165 17253411419510451802 13257819 37 18046089286975162422 133893 2 18195266428895418962 13681431 1 18123469376126716146 14251751 93 18269274745217874574 14251757 17 15984264183116274430 14713325 29 17688880061165477734 14955137 171 18263066761677445490 15163728 17 17750820842209779108 15463212 79 17901655292051216104 15502722 9 18336549330541370948 15849732 13 18261944199150069840 17138139 8 17483084405191118335 17818456 19 17198543646581013273 17980427 23 17973404833580389264 1813 80 17838618855558592686 18681886 176 18338225051298865976 20197701 30 18411415155166331212 20567600 347 18335145327313016774 20600515 1 16976740187942586900 20645477 70 18338795611728373247 21421566 26 16760034134294907798 21421861 104 18197512726634464937 21452121 199 18051125887617188458 21524375 3 18263365953004010848 22393880 68 18412262852218211877 2255824 54 18340206289051705310 22907989 373 17545634565091037788 23114952 82 18262516975107942957 23227448 37 17615132517561096404 23419403 2 17548474440295720582 23557571 272 16733566999507007161 23559900 14 18266448811593162811 238 59 18338812151420726386 26353 1 17690854362899477958 2637199 183 18337959003607130188 3060560 45 18408886256821360500 340366 18 17691129227811366937 3729539 64 18192738703788455822 394222 165 18261947535627574002 404807 78 17537707073808461015 4280585 95 17835523722158728342 4409770 3 17835529593341734678 44802255 64 17680458781739446452 458136 41 18411147951754139003 46194498 28 18261951830652853125 469060 322 16085564478342649646 6138700 20 18338526223396581118 633830 44 17703228537136141305 6669772 16 18338808896563516518 8272917 22 18339083696506875477 9709674 26 18262797363922183747 > 471.32 7.85 4.01 1.56 6.8 3.39 0.21 -5.17 -1.79 -4.7 -0.75 -0.04 0.16 -0.51 > 1018.901 > 253.5 > 2 5 10 $$$$