69608167 -OEChem-04262423283D 50 52 0 0 0 0 0 0 0999 V2000 -2.2646 1.9479 1.3023 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6718 -3.1034 0.3487 Si 0 0 0 0 0 0 0 0 0 0 0 0 -6.8788 -0.3734 2.8154 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3182 0.3902 -1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2256 0.6428 -0.7701 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7209 2.9072 -0.2925 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8248 3.5126 0.7148 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -3.9383 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5244 -3.1832 0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7935 -4.0010 1.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1147 -1.3088 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8246 0.5824 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3383 1.2044 0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1192 1.6185 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 0.4634 -0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7597 -0.1623 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8997 -0.9114 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2779 -0.8165 -0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0551 1.2166 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 -0.1111 -1.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3372 1.1571 0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 -0.1708 -1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4411 -0.6348 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 -0.9107 -1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1585 2.2052 0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7222 -0.5471 1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6772 -0.8232 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8404 -0.6412 0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6097 3.7887 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7669 -3.4376 -2.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 -3.9099 -1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5778 -4.9853 -1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7912 -2.7073 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6711 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8652 -4.2223 0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7093 -3.9742 1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0219 -3.5371 2.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1069 -5.0484 1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2988 -1.6024 -0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9382 -1.3131 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6885 -0.0594 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5318 1.7479 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7897 -0.6070 -2.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 -0.7067 -2.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5775 -0.5618 1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2839 -1.0506 -2.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1395 1.9904 1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5478 -0.8962 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8377 -0.5730 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3155 4.8310 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 41 1 0 0 0 0 6 14 2 0 0 0 0 6 29 1 0 0 0 0 7 25 1 0 0 0 0 7 29 2 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 16 3 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 25 2 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 24 27 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M END > 69608167 > 1.2 > 1 122 133 116 5 137 79 58 103 90 144 125 74 39 16 70 32 24 131 134 97 142 99 109 29 38 22 148 140 76 118 143 60 114 42 23 50 96 69 91 56 132 40 30 128 149 113 41 145 121 135 62 45 27 53 52 33 86 44 36 75 14 139 105 8 94 51 82 138 46 153 68 83 156 119 92 43 37 72 104 110 130 124 26 152 111 80 48 61 117 4 65 155 89 129 85 25 67 106 84 66 77 158 9 78 126 101 63 115 98 6 81 3 123 150 10 147 141 151 20 112 73 59 55 64 34 11 120 71 93 108 95 54 2 107 19 17 136 154 13 102 47 31 57 12 146 87 15 127 100 49 7 28 35 157 88 21 18 > 39 1 -0.18 10 -0.08 11 -0.29 12 0.1 13 0.07 14 0.41 15 0.08 16 -0.07 17 0.42 18 -0.14 19 -0.15 2 0.54 20 -0.15 21 0.18 22 -0.15 23 -0.15 24 -0.15 25 0.16 26 0.19 27 -0.15 28 -0.15 29 0.47 3 -0.19 4 -0.36 41 0.4 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.6 50 0.15 6 -0.62 7 -0.62 8 -0.08 9 -0.08 > 5 > 7 1 4 acceptor 1 5 donor 3 5 6 14 cation 3 6 7 29 cation 6 12 15 19 20 21 22 rings 6 18 23 24 26 27 28 rings 6 6 7 13 14 25 29 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 042622E700000001 > 82.0808 > 35.658 > 10883706 89 18057051216030011235 10906281 52 17630627806350921213 10951579 204 16371828657600864183 117089 54 18049725118826950666 12107183 9 18055354643766438456 12342043 65 18040990701222617324 13533116 47 18409729573533527972 13673619 4 18114179692704687526 13782708 43 17967809410232358039 13785724 45 18129669578441965646 14347424 109 18343863333455513104 15328684 2 17418384575536330755 15475509 35 18187364307762756206 15510800 12 17894912897987476178 15721738 202 18271803480734734698 19301679 30 18338506436392629440 20505436 4 17844243159010566332 21049683 271 18334013866562775444 21130935 74 18338797931243263219 21344244 78 17989194925031864760 21781055 127 16271662134951180678 21792964 463 18192173644221426393 21814621 53 18114172022083305885 22033318 11 17987539051413769017 2303208 19 17749105595564649695 23081809 10 17632013160873688693 23522609 53 17773051941190742361 34797466 226 16950281844874218132 3663271 9 18129945701746941471 3680242 22 18273500095526110429 397830 11 17243297407784930897 4073 2 18121497118200900560 5104073 3 18130786724736226728 513202 73 18409729517978891821 6176135 31 17775845705346779566 6697151 62 18051095191686650764 6700243 42 15503207874193151990 70251023 43 18261669290751632216 86090 222 17603589608290290442 9831232 110 17676486129225528494 9962374 69 18341037588910246006 > 588.8 23.09 4.51 1.69 26.77 0.35 -0.3 -19.07 -7.39 -13.87 -1.06 2.14 -0.71 -0.29 > 1220.938 > 338.2 > 2 5 10 $$$$