71510615 -OEChem-03292409473D 34 35 0 0 0 0 0 0 0999 V2000 -7.1098 -1.3419 -0.5662 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8706 -2.2963 -0.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1533 1.7713 -0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5762 1.8675 -0.1216 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0515 -0.2911 -0.2108 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 1.7645 -0.2181 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3116 -1.0264 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 -1.0680 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 -0.2752 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1081 1.1181 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6084 1.2039 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8697 -1.2449 1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -0.9236 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8224 -0.2507 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3181 -0.2812 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 -0.9126 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4513 -1.0244 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 1.0608 0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7109 -0.4257 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7039 1.6596 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8372 0.9163 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1658 -1.9935 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0393 -0.4663 -0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9043 2.7798 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0541 -0.2921 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 -1.8216 1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8160 -1.7923 1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 -2.0095 0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 0.7949 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9865 -1.9987 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3562 -2.0712 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6002 1.6760 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8037 2.7026 0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8123 1.3957 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 8 2 0 0 0 0 3 10 2 0 0 0 0 4 11 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 M END > 71510615 > 0.6 > 2 3 1 4 > 28 1 -0.18 10 0.69 11 0.62 13 -0.15 14 -0.15 15 0.03 16 -0.18 17 -0.15 18 -0.15 19 0.18 2 -0.57 20 -0.15 21 -0.15 24 0.37 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 4 -0.57 5 -0.42 6 -0.49 7 0.3 8 0.62 9 0.03 > 3.4 > 6 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 donor 6 15 17 18 19 20 21 rings 6 5 6 8 9 10 11 rings > 21 > 0 > 0 > 2 > 0 > 0 > 1 > 3 > 04432A5700000002 > 60.1305 > 30.447 > 10411042 1 18049442540191078126 10595046 47 18413952789269411291 11089746 13 18261110755449123547 11578080 2 13625255358868326108 12107183 9 17692255140760614067 12166972 35 18342460369862569465 12236239 1 18273216400256860535 12516196 113 17846777403508255905 13073987 5 18411984650512761809 13167372 99 18411420574756052737 13167823 11 18342457032804556687 13862211 1 18408321060309808386 14251764 18 18408322198792451480 14341114 176 18409455799591441063 14528608 73 18413111679484300372 15183329 4 18409733945414596401 15196674 1 18411421700448875793 17834072 33 18341895203557712935 17844677 252 18412271631643008873 18681886 176 18202278117445775738 200 152 18202563991070059105 20028762 73 18342175527673793998 20281389 69 18260266347962890605 20612939 158 18187651327077775724 20645477 70 18341616984034720814 21033648 29 17240750796978163053 21267235 1 18412553097528722519 21315763 129 18410573959545496053 21315763 28 18411698777025666959 21315764 268 18409442609236010277 221357 26 18409727366073656605 23081809 10 18335708242969762989 23402539 116 18272929415069256885 23536379 177 18412545401158123427 23559900 14 18265608965657435169 29717793 49 17917436401792028966 3004659 81 18408046191419794036 335352 9 18408889542940833942 34797466 226 16558475291732628168 3545911 37 18410294748448755191 4073 2 17968383458355119746 4214541 1 18411983546864448041 4325135 7 18272651264676951263 5104073 3 18410015459040784336 542803 24 17561369478443013417 54446538 1 18411981356167331009 59755656 520 17748823043058232163 67856867 119 18342453776960805569 7495541 125 17417809595416033251 9971528 1 17967818253643867364 9996256 80 18412262857061616599 > 406.47 17.16 1.97 0.73 9.36 0.36 -0.08 -2.73 -0.1 -0.86 0.02 -0.16 -0.06 -1.23 > 855.577 > 227.6 > 2 5 10 $$$$