2469908 -OEChem-04242411413D 43 45 0 0 0 0 0 0 0999 V2000 3.8193 -0.7007 2.3793 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6656 -0.4914 0.0368 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 1.0783 0.0978 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2874 -1.2129 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5775 -0.2778 -0.1587 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1497 -1.5565 -0.2286 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1831 0.4047 -0.8713 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5771 0.6338 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -0.0951 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8474 -1.4370 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9051 -0.0023 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 2.0937 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0253 -2.6506 -0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2504 1.1703 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8992 -0.8949 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -0.1537 -0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 0.7077 -1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5896 1.4502 1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2386 -0.6148 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5837 0.5577 0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3268 0.6991 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8278 -0.1228 1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 1.1572 -0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 -0.4925 1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4938 0.7876 -0.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 -0.0372 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7103 2.5043 0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0235 2.5931 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7379 2.4039 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1773 1.3836 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 -3.5135 -0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2933 -2.5471 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -2.8960 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5377 1.8453 1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6641 -1.8116 -0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 0.1233 -1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8817 1.6199 -1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8577 2.3487 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0130 -1.3090 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6260 0.7726 0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7648 1.8077 -1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5733 -1.1358 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1317 1.1516 -1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 26 1 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 4 16 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 M END > 2469908 > 0.8 > 45 28 208 96 156 158 109 142 68 187 172 223 218 230 190 90 75 84 102 11 141 46 228 111 157 74 10 107 41 139 108 15 205 81 14 130 44 200 23 162 123 201 53 227 176 170 203 165 20 24 134 214 127 65 83 219 19 95 149 171 56 6 161 61 12 117 69 211 131 163 173 98 2 159 202 64 146 197 125 189 152 57 233 86 229 138 49 37 224 144 104 199 136 22 160 110 217 178 7 115 185 192 137 198 35 8 36 114 213 70 221 87 154 120 153 129 183 174 30 188 25 76 215 191 143 73 168 193 126 39 31 232 124 4 103 29 150 92 206 225 155 43 167 135 112 216 212 63 66 62 59 140 72 207 58 119 181 145 113 80 34 5 151 13 196 79 128 55 40 50 91 16 105 194 132 78 133 209 97 52 67 99 9 220 204 88 116 148 42 60 177 89 47 106 26 222 51 175 169 166 118 1 121 85 21 38 33 18 195 184 234 226 77 122 93 100 101 231 180 27 147 54 182 71 186 32 82 94 17 3 164 210 48 179 > 35 1 -0.18 10 0.11 11 -0.02 12 0.18 13 0.18 14 -0.15 15 -0.15 16 0.57 17 0.34 18 -0.15 19 -0.15 2 -0.18 20 -0.15 21 0.08 22 0.18 23 -0.15 24 -0.15 25 -0.15 26 0.18 3 -0.36 30 0.37 34 0.15 35 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 43 0.15 5 0.59 6 -0.71 7 -0.49 8 -0.33 9 0.06 > 6 > 7 1 3 acceptor 1 4 acceptor 1 6 acceptor 1 7 donor 5 5 6 8 9 10 rings 6 11 14 15 18 19 20 rings 6 21 22 23 24 25 26 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0025B0140000002D > 88.9299 > 35.525 > 10 15 18261116258098808241 10299344 5 18186802483090246714 10670039 82 15841557332049569635 10674148 151 18411699894845954842 10883706 142 16774082873741402279 11524674 6 17561082535762471903 11646440 116 17275108344548968769 12166972 35 17895195527662043092 12236239 1 18113617901949181117 12516196 113 13334736838340654030 13288520 33 11169913901520468159 13533116 47 17676480636183435632 13668630 136 14273456963913191792 13685833 64 15647053759154935236 13914758 101 14836134233981943626 14123256 10 9439403528020201846 14251764 18 18334576853857235308 14251764 46 18202846556161458436 14617045 38 16950562182127680874 15183329 4 18408037420432002280 15352257 5 15502095249902841352 15419008 47 16702302334605301464 15537594 2 17749099007348880074 15849732 13 13479136804180983538 20157964 124 13614525164968792364 20281389 69 18408885152556024244 20554085 129 17775564217337089743 21033648 29 17059758014882108634 21150785 3 8214140755132835158 21267235 1 17749106669886676844 21623969 137 15936407827853345226 21781055 127 18057912202001018020 22224240 67 17530684333557184282 23198884 109 14692576511797896171 23522609 53 18042992975937114060 246663 6 16515686633064922730 2838139 119 15554444089813339817 4073 2 18261678194197692402 4093350 32 17060062493414039382 4339292 15 15338541839822049677 5104073 3 18263644133276614793 5385378 56 18200600193998552726 54039377 194 17387118799118634186 59755656 520 18343578568913987215 > 512.13 24.21 1.68 1.24 7.98 0.41 -0.59 -2.66 -4.77 -1.45 0.24 1.24 0.06 -1.76 > 1088.598 > 287.6 > 2 5 10 $$$$