10253143 -OEChem-04232404323D 46 48 0 0 0 0 0 0 0999 V2000 5.7294 1.7738 -1.9573 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2246 -2.9932 0.0398 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0449 -0.8313 0.9906 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 -1.8852 -0.1661 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 -1.5243 1.9542 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.7204 -2.0821 -1.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 1.7863 1.7512 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9814 1.4022 -0.5105 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 0.2886 0.3214 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 2.6679 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 1.4406 -0.1533 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 0.0748 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5349 0.1418 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6039 -0.9151 -1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4117 1.4562 -0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1274 -1.2560 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3045 -2.2539 -1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1921 1.5743 0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 1.5160 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 0.3504 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0313 2.6567 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 -0.9464 0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 1.4671 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 0.3995 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 0.4402 -0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0191 -0.6970 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3231 -0.6075 -0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9386 -1.7446 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0906 -1.6999 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6192 -0.3040 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8352 0.7571 0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9372 0.6148 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8912 -0.5065 -2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5203 -1.0748 -1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7462 1.8555 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7274 2.1579 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2205 -1.1994 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8331 -1.7275 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9666 -2.7487 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0765 -2.9206 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 1.2363 -1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 3.6231 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6642 2.3259 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1656 -0.7563 1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2223 -0.5747 -1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 -2.5847 1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 29 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 5 22 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 2 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 41 1 0 0 0 0 9 20 2 0 0 0 0 9 23 1 0 0 0 0 10 21 1 0 0 0 0 10 23 2 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 43 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 30 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 21 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 M END > 10253143 > 1 > 1 66 51 76 84 86 77 63 90 44 98 74 96 67 93 87 54 16 11 14 88 81 99 48 41 52 78 94 49 47 71 95 100 30 61 22 72 19 62 97 68 13 20 27 75 92 33 57 73 80 38 85 70 83 10 29 17 42 35 46 79 18 2 31 91 6 34 12 82 60 65 23 3 24 69 64 21 8 37 26 36 89 56 25 50 15 45 59 28 7 58 40 39 32 55 53 9 5 43 4 > 32 1 -0.18 10 -0.62 11 -0.6 15 0.3 16 0.28 17 0.28 18 0.54 19 0.09 2 -0.18 20 0.17 21 0.16 22 1.16 23 0.72 24 0.1 25 0.18 26 -0.15 27 -0.15 28 -0.15 29 0.18 3 -0.34 4 -0.34 41 0.37 42 0.15 43 0.4 44 0.15 45 0.15 46 0.15 5 -0.34 6 -0.56 7 -0.57 8 -0.73 9 -0.62 > 8.2 > 9 1 11 donor 1 6 acceptor 1 7 acceptor 1 8 donor 1 9 acceptor 4 9 10 11 23 cation 6 24 25 26 27 28 29 rings 6 6 12 13 14 16 17 rings 6 9 10 19 20 21 23 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 7 > 009C735700000001 > 75.9726 > 45.671 > 10 15 10952050078548792159 10693767 8 18410566310124625098 11135609 187 18261392277691995520 11524674 6 16415478273007377695 11963148 33 18342168926135351046 11991303 11 15864077606572128971 12166972 35 18260268555243836756 13533116 47 18342736368645149352 1361 4 18268145533965489415 13690498 29 18333723607866455965 13862211 1 18411702058554553184 14068700 675 18130787871487122537 14347332 77 18413105043992280789 14767858 380 18187083966060877559 14784336 7 18341046337821626464 15082195 135 18115598183333199196 15183329 4 18408039628114095543 15420108 30 17766286375292961601 16628084 112 18116709625705130202 17349148 13 18273220789497549040 19958102 18 18186795902636366830 20028762 73 18201999927903139071 21033648 29 12974179561887363260 21150785 3 17967534596828992924 21267235 1 18411420591972448897 21521239 73 18334571365147656283 21814621 53 15553614976325378114 22393880 68 18189036669333241725 22956985 138 17341832032183385630 23522609 53 18124346919223724457 23559900 14 18336826519130781576 23569943 247 18267304235682164362 2748736 6 8142095251470271231 3004659 81 18113337475846382288 3383291 50 18408600353517636026 3411729 13 8430330046938063129 439807 62 18409729573728856583 44249763 50 14057291959890378268 465052 167 18202563969431952580 504579 68 18261970604482463966 5104073 3 17418374705237390777 5470011 282 17968377948291426031 5718773 13 18341609279227265086 6138700 20 18336827489819341770 86090 222 15912791443618432948 > 547.06 19.84 2.96 1.27 1.21 0.23 -0.07 13.55 -6.83 -1.34 -0.17 -0.14 0 -2.44 > 1152.828 > 309 > 2 5 10 $$$$