24982336 -OEChem-03292411193D 60 62 0 1 0 0 0 0 0999 V2000 -1.2132 4.3492 0.3023 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0438 -2.1342 -0.7323 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 3.5619 -1.7853 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5259 3.8814 -2.2010 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 5.1518 -0.7657 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9811 1.1699 2.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 -1.8245 -1.8412 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -3.4612 -0.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9358 -1.6372 -1.4193 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2803 0.2428 0.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 -0.9903 0.5165 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0773 -2.6106 -0.3554 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -2.6295 0.5743 N 0 0 1 0 0 0 0 0 0 0 0 0 2.5442 -0.0645 1.5568 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 -1.0752 1.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4686 0.4226 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -0.1762 2.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 1.2588 1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3983 -1.7107 -1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3107 -2.3282 -0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -0.7582 -2.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0109 -1.9931 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -0.4231 -2.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 -1.0405 -1.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2935 -3.2907 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4468 -2.4073 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3916 -1.5807 1.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5658 -3.5992 1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7581 -0.3592 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 0.9917 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9569 1.8843 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 2.9251 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 1.1401 1.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 3.0736 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4061 2.1810 1.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4402 3.8602 -1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -0.7216 1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 -2.1038 2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2175 0.4866 -0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5144 0.8153 -0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8226 -0.5196 3.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1442 -0.1771 3.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0051 2.3111 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9127 0.9384 1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4668 -3.0704 0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0174 -0.2620 -2.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7217 0.3209 -3.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1761 -0.7256 -2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 -3.2953 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 -4.2139 -0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7641 -3.5662 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 -1.9361 2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 -1.2330 1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 -4.1006 1.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5322 -3.1086 1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7307 -4.3627 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 -0.6661 2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8568 1.8113 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2223 0.4506 2.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 2.2839 2.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 36 1 0 0 0 0 4 36 1 0 0 0 0 5 36 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 9 26 2 0 0 0 0 10 29 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 22 1 0 0 0 0 12 26 1 0 0 0 0 12 49 1 0 0 0 0 13 25 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 57 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 34 2 0 0 0 0 32 36 1 0 0 0 0 33 35 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 35 60 1 0 0 0 0 M END > 24982336 > 1.4 > 4 24 211 175 155 188 201 144 153 98 18 192 97 51 96 179 154 129 57 101 140 133 168 21 61 162 198 124 78 158 90 173 111 1 100 121 174 208 2 115 65 138 186 87 106 43 36 99 118 126 69 62 23 7 149 139 172 125 81 185 194 68 113 53 132 8 112 94 85 83 200 40 145 182 52 151 206 19 17 159 197 119 114 164 16 131 86 166 171 202 177 9 181 137 120 32 48 105 178 187 134 213 183 142 157 147 63 70 45 160 209 55 146 15 84 163 20 203 41 34 152 190 189 180 148 76 3 93 6 59 66 104 122 27 205 60 135 207 80 170 44 64 176 67 169 5 28 49 116 75 204 130 109 54 110 50 199 89 91 210 184 46 102 161 150 73 82 136 38 13 143 74 212 191 56 193 26 71 31 10 33 58 123 128 167 196 165 117 95 79 103 195 108 42 11 127 107 14 39 72 30 141 92 77 47 156 25 35 29 88 12 37 22 > 45 1 -0.18 10 -0.57 11 -0.85 12 -0.55 13 -0.81 14 -0.55 15 0.36 16 0.36 17 0.28 18 0.28 19 -0.01 2 1.45 20 -0.15 21 -0.15 22 0.12 23 -0.15 24 -0.15 25 0.33 26 0.57 27 0.33 28 0.27 29 0.57 3 -0.34 30 0.12 31 -0.15 32 -0.14 33 -0.15 34 0.18 35 -0.15 36 1.16 4 -0.34 45 0.15 46 0.15 47 0.15 48 0.15 49 0.37 5 -0.34 57 0.37 58 0.15 59 0.15 6 -0.56 60 0.15 7 -0.65 8 -0.65 9 -0.57 > 12.2 > 11 1 10 acceptor 1 12 donor 1 13 cation 1 14 donor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 6 19 20 21 22 23 24 rings 6 30 31 32 33 34 35 rings 6 6 11 15 16 17 18 rings > 36 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 017D334000000004 > 81.8217 > 55.846 > 10688039 33 18338499856107125258 10838868 49 17390515086571207297 11285246 1 12615819872398627544 11513181 2 16630251286107666127 12156800 1 17906480751889988228 12422481 6 17845086273442851258 12633046 712 17894922844826103315 133893 2 18339081613574350647 13642711 20 17611786613514576288 151778 21 17831847324109018950 15264996 154 18057900214958818231 15276724 80 18270956853034842962 16993438 75 17687175396586822196 19319366 153 17620751025914737365 20739085 24 18341891896644300722 20764821 26 18341060623125673101 35225 105 17393023059909422853 469060 322 18266736892309059802 474144 1 18199477730233773785 5080951 261 17758375406531865936 513202 73 18048878494435129178 > 675.49 9.65 6.03 2.46 0.32 6.34 -0.11 -9.19 4.4 2.52 -2.17 -1.45 0.46 -2.57 > 1408.754 > 386.5 > 2 5 10 $$$$