71561911 -OEChem-04232420143D 48 48 0 1 0 0 0 0 0999 V2000 3.6727 1.1359 -0.3926 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 0.9248 1.0825 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 0.7091 0.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2239 -1.8825 -1.9301 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.4144 -0.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 3.6290 0.6555 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0796 -3.3581 1.7215 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.0700 -0.2096 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -1.1813 0.0438 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6878 -0.7428 -1.2622 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8096 0.2620 -0.9747 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5705 0.0437 0.8556 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2750 1.4208 -0.1231 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3627 2.2429 0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 2.4067 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 1.5351 1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 2.1071 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 0.5167 -2.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9871 -0.3258 0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4669 -3.0846 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6395 -3.8744 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 -1.7462 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 -0.2893 -1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 0.6267 -1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2313 -0.3092 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5064 1.9639 -0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 2.9288 1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 2.8549 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 -1.9042 -1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5555 2.2914 1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6258 0.9336 1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9394 2.0398 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 2.6136 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6519 -1.5689 -2.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5813 -0.5348 0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 2.9675 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0399 1.4790 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6275 2.4749 0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 -0.1082 -2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 1.3553 -2.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1719 -0.0806 -1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 -0.9669 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0838 -0.9309 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 0.0137 1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 4.2423 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 -3.2152 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1196 -4.4010 0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2881 -4.6019 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 10 1 0 0 0 0 4 34 1 0 0 0 0 5 11 1 0 0 0 0 5 35 1 0 0 0 0 6 15 1 0 0 0 0 6 45 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 M END > 71561911 > 0.8 > 1 142 217 104 161 112 116 17 192 218 98 141 224 140 33 49 178 167 16 204 107 173 186 166 237 200 191 154 232 235 60 158 233 225 164 86 89 198 81 228 169 68 239 234 147 105 87 180 137 72 123 211 110 240 128 201 214 176 179 227 196 113 231 172 145 70 238 195 32 82 29 222 215 177 206 18 76 155 88 106 230 55 190 219 12 42 36 85 221 96 207 108 109 210 138 30 175 156 220 193 223 153 94 149 181 182 57 168 216 165 22 132 5 194 38 171 213 69 183 102 91 129 97 14 56 95 28 9 144 26 184 79 226 188 118 127 117 150 111 242 148 6 134 203 162 185 78 39 34 47 209 7 135 121 61 170 197 163 58 90 136 45 101 103 2 125 130 160 31 114 157 199 10 51 54 73 37 62 122 3 208 139 119 83 202 100 152 65 4 74 151 43 44 19 159 52 66 124 93 48 212 146 15 120 20 241 8 75 50 67 115 80 236 174 99 53 35 143 41 59 11 229 46 126 205 64 63 84 131 27 187 133 189 40 23 92 71 13 25 21 77 24 > 25 1 0.32 10 0.28 11 0.28 12 0.56 13 0.28 14 -0.08 15 0.28 16 0.28 17 -0.08 18 -0.08 19 -0.08 2 -0.56 20 0.57 21 0.06 29 0.37 3 -0.56 34 0.4 35 0.4 4 -0.68 45 0.4 5 -0.68 6 -0.68 7 -0.57 8 -0.73 9 0.3 > 8.2 > 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 6 acceptor 1 6 donor 1 7 acceptor 1 8 donor 6 2 9 10 11 12 13 rings > 21 > 5 > 0 > 0 > 0 > 0 > 1 > 2 > 0443F2B700000001 > 37.0907 > 55.878 > 10764073 3 17262783892795990539 107951 10 18338819865313742102 11578080 2 16527011486377003185 12173636 292 18335427914712449140 12500047 106 18190455159634030228 12592029 89 18339369560892677329 12788726 201 18268991062707062168 133893 2 17824521007555800707 14251751 93 18413668002350948837 14251757 17 17632026260054598844 15415430 2 18053375780106613438 19591789 44 18123461950271173483 19765921 60 18340213998496616682 20645476 183 18115866476558866710 20671657 1 18051133592635802849 20871999 31 18271249425579409532 21033650 10 18128562456037630580 21330990 113 17974596841708637715 21524375 3 18341899550117844713 21665056 4 18336265746978473530 22907989 373 17901118725881252630 23366157 5 18044654191993034643 23419403 2 17192133643808686395 23557571 272 17759525860656359036 23559900 14 17846505786468238508 25147074 1 17986377898969117789 2748010 2 16685398769025083368 474 4 18261669255895748834 6443956 14 17831583076937131242 81228 2 17839734108462762657 9709674 26 17912360137359502384 > 410.19 7.51 4.27 1.45 5.85 3.14 0.46 -5.66 1.9 -1.21 -1.47 0.08 0.38 -0.98 > 785.392 > 253.6 > 2 5 10 $$$$