59782009 -OEChem-03292403063D 78 81 0 1 0 0 0 0 0999 V2000 0.3730 -2.1013 2.1648 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0948 -0.3538 3.2053 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6236 1.3301 1.3702 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9677 2.1913 -2.1315 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 3.8719 0.3283 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 0.1075 -1.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 1.0715 -1.0563 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 2.4700 0.5131 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3192 -1.4728 -2.2556 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7748 -3.8695 -0.9057 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1937 -3.3048 -0.6784 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6449 -1.6928 -2.1455 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 -0.7178 0.0505 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 -2.0097 -0.1953 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6189 2.9834 0.8019 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 -2.7823 -0.3037 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5601 0.0524 0.9490 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4436 0.7270 0.1185 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1273 -1.8694 1.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 -0.2332 -0.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -2.0895 0.4424 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9366 -2.0776 -0.6306 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3471 -0.6994 -1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 0.1139 0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -0.1741 1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -1.3820 2.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6661 0.6559 2.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6466 1.3719 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -1.7137 -1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 -1.6962 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1841 3.3397 -1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5801 3.2410 -2.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8509 1.3356 -3.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2097 -0.4195 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6483 -0.7788 1.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0897 1.7119 0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4231 -0.2893 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 5.6803 0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 3.3164 -1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 3.5033 1.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1431 1.2695 1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5256 -2.2466 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4087 -1.3620 -0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 -5.0085 -0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0047 -2.7681 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 -2.8476 -1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 -1.0938 3.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9306 -2.1842 2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5622 -2.1864 0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 1.5382 2.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 1.0151 3.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 2.7794 -0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5407 4.1070 -1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 3.8393 -0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9768 3.9570 -3.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 2.6082 -3.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 3.7994 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 0.6312 -4.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1928 2.0686 -4.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7221 0.7844 -3.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2472 3.5953 1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -1.0351 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7787 6.2845 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4543 5.8833 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 6.0182 1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8293 3.8767 -1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 2.2535 -1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5131 3.4739 -2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 2.4385 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 4.0658 1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1541 3.7751 2.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4662 0.4383 -0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3836 2.0527 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5821 1.0900 2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9475 1.6557 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 -5.8605 -1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 -5.2379 0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5661 -4.8390 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 7 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 15 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 23 2 0 0 0 0 7 28 1 0 0 0 0 8 28 2 0 0 0 0 9 29 2 0 0 0 0 10 16 1 0 0 0 0 10 44 1 0 0 0 0 11 42 2 0 0 0 0 12 43 2 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 22 1 0 0 0 0 14 29 1 0 0 0 0 14 49 1 0 0 0 0 15 36 1 0 0 0 0 15 61 1 0 0 0 0 16 30 2 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 17 41 1 0 0 0 0 18 34 1 0 0 0 0 18 36 2 0 0 0 0 19 35 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 72 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 29 30 1 0 0 0 0 30 34 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 37 2 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 43 1 0 0 0 0 44 76 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 M END > 59782009 > 1.4 > 2 121 56 267 74 212 157 269 47 272 124 78 5 62 118 150 20 81 248 28 73 184 103 203 146 237 258 189 200 138 144 220 183 249 16 190 239 114 168 77 211 228 126 129 107 213 67 198 266 230 89 255 111 225 252 147 130 256 125 127 65 55 131 154 205 68 34 196 238 153 202 251 235 102 88 58 206 197 149 64 166 92 31 218 148 137 245 23 254 246 116 179 15 261 6 268 105 145 233 21 192 59 264 265 112 204 215 260 173 136 243 106 214 9 171 109 172 232 100 37 141 208 51 180 19 44 39 48 108 41 185 35 82 152 61 142 36 143 193 210 8 221 90 234 209 187 188 99 120 163 155 128 156 263 242 7 70 186 170 52 219 10 158 182 253 162 60 85 250 113 161 247 75 133 241 46 159 84 160 226 76 24 244 194 94 83 178 227 49 207 270 97 27 224 236 14 195 25 262 43 29 119 30 216 1 257 191 140 38 33 222 217 177 181 201 164 79 174 93 42 271 66 123 240 135 32 223 169 11 229 12 91 231 86 63 3 45 199 96 98 54 22 176 18 80 72 71 139 151 259 134 53 57 17 95 4 101 175 132 26 117 165 167 13 69 110 50 104 122 40 87 115 > 48 1 -0.45 10 -0.22 11 -0.57 12 -0.57 13 -0.39 14 -0.65 15 -0.84 16 -0.51 17 -0.44 18 -0.57 19 -0.66 2 -0.37 20 -0.41 21 0.44 22 0.28 23 0.58 24 0.12 25 -0.28 26 0.37 27 0.37 28 0.71 29 0.63 3 -0.08 30 0.54 31 -0.08 32 -0.08 33 -0.08 34 0.14 35 0.64 36 0.46 37 -0.11 38 -0.08 39 -0.08 4 0.54 40 -0.08 41 0.37 42 0.78 43 0.63 44 0.28 49 0.37 5 0.6 6 -0.57 61 0.4 62 0.15 7 -0.45 72 0.37 8 -0.57 9 -0.57 > 13.6 > 15 1 11 acceptor 1 12 acceptor 1 14 donor 1 15 donor 1 16 acceptor 1 19 donor 1 20 donor 1 6 acceptor 1 8 acceptor 1 9 acceptor 3 15 18 36 cation 4 13 21 22 23 rings 5 3 18 34 36 37 rings 6 1 13 21 24 25 26 rings 6 17 19 20 35 42 43 rings > 44 > 2 > 0 > 1 > 0 > 0 > 1 > 28 > 0390337900000002 > 85.1123 > 76.4 > 10864689 126 17828478077169570709 11578080 2 18338511925086449497 12107698 1 18188197814891329512 12128747 34 17604130550904873200 12422481 6 18188495791026973853 13782708 43 18189060794085902634 14340393 34 18340480166605887270 14856354 85 16415194646062322751 15328829 1 16988560221166797429 15790856 291 17763183536193864260 21304303 282 16589133941181136013 508706 21 17676493817227219408 5171179 24 18408042896689625061 57816373 69 17986125002235920694 6086070 43 18191860129283695930 > 872.54 15.66 5.95 2.96 5.04 2.6 0.06 -3.96 0.68 8.22 -1.73 -3.84 0.47 4.24 > 1748.876 > 521 > 2 5 10 $$$$