11154283 -OEChem-04232423363D 45 48 0 0 0 0 0 0 0999 V2000 5.6391 -2.0703 -0.7617 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 -1.3566 -0.4076 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 -0.3780 -1.9038 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 -2.8431 -0.1758 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.9503 -0.2442 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 0.4055 0.0933 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2732 3.0669 0.1453 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3206 0.9778 0.0119 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0709 -1.1658 -0.5716 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 3.0436 -0.4541 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6331 0.0193 -0.8030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 1.7682 0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0481 1.3076 1.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0455 2.6309 0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4886 0.3780 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5741 1.0371 1.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 2.9306 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2699 1.4683 1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1252 3.3620 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9045 -0.0119 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9281 -2.0046 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6798 0.9802 -0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 2.3423 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 2.3660 -0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 -1.8895 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4388 -3.1662 0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4055 -0.9614 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7109 -2.9476 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5812 -4.2241 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2172 -4.1148 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7045 2.1844 1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0877 0.8132 2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 0.1349 1.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2619 3.5084 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9397 -0.4169 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5347 0.8974 1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9636 4.2687 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5691 0.8589 0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9575 -0.5139 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 4.0566 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5515 2.9529 -0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 -1.0210 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4952 -3.2765 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9745 -5.1323 1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -4.9382 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 6 35 1 0 0 0 0 7 14 1 0 0 0 0 7 23 1 0 0 0 0 7 40 1 0 0 0 0 8 15 2 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 10 23 2 0 0 0 0 10 24 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 27 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 24 41 1 0 0 0 0 25 28 1 0 0 0 0 25 42 1 0 0 0 0 26 29 2 0 0 0 0 26 43 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 M END > 11154283 > 0.8 > 1 217 274 48 242 80 155 114 203 196 147 83 277 63 223 161 111 3 82 146 207 241 187 237 266 224 142 116 282 105 168 118 130 66 107 270 248 53 35 103 263 259 171 185 25 206 252 272 236 178 260 31 131 55 220 61 267 97 273 214 79 137 215 145 176 232 281 202 186 74 77 275 181 108 172 112 208 153 34 22 197 261 190 157 233 221 151 46 279 198 164 244 218 10 264 71 163 158 144 60 119 123 182 12 86 254 229 169 59 166 192 154 143 271 268 139 251 179 52 92 225 30 191 47 180 117 235 212 129 87 141 110 200 127 265 135 133 201 210 230 89 4 6 247 70 72 250 149 95 45 246 177 140 67 245 231 189 148 238 222 21 249 15 121 204 33 94 278 27 125 62 228 75 17 90 44 29 256 78 128 98 195 68 170 269 36 257 160 234 56 253 209 216 26 69 14 120 199 84 132 51 100 239 165 32 76 13 40 194 49 115 193 226 258 122 16 96 5 58 85 65 88 243 173 73 184 37 8 24 104 219 227 41 205 39 276 152 93 183 167 18 134 91 99 240 150 106 64 126 19 113 211 280 57 20 38 138 188 213 174 42 255 11 156 102 7 43 136 159 54 109 23 9 2 101 50 162 28 262 175 124 81 > 41 1 -0.34 10 -0.62 11 -0.23 12 -0.14 13 0.41 14 0.1 15 0.11 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.34 20 0.27 21 -0.02 22 0.23 23 0.72 24 0.16 25 -0.15 26 -0.15 27 1.02 28 0.19 29 -0.15 3 -0.34 30 -0.15 33 0.15 34 0.15 35 0.36 36 0.15 37 0.15 4 -0.19 40 0.4 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 5 0.59 6 -0.9 7 -0.6 8 -0.57 9 -0.42 > 7 > 8 1 6 cation 1 6 donor 1 7 donor 4 7 8 10 23 cation 5 5 9 11 15 22 rings 6 12 14 16 17 18 19 rings 6 21 25 26 28 29 30 rings 6 8 10 15 22 23 24 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 00AA336B00000001 > 84.2423 > 40.723 > 10256941 240 14080885886090344898 10462674 296 16974763816182602182 10693767 8 17410469397935164871 12553582 1 16967438878181055633 12643181 29 18409162200154286066 12645989 146 18127409166676110983 13402501 40 18343581832935787182 13785724 45 17614011007380089699 138480 1 17617925947505476169 14117953 113 18334844010294579925 14251740 79 18272653424122419729 14251757 5 18408042914075060058 14289585 56 17023175007683335788 14444916 359 18338806615777600465 14461889 52 18201706385302489144 15001296 14 18188760777513160376 15230672 131 18190174590816655146 15351339 4 18265044739518978698 15439362 3 17615678541428712413 15927050 60 18053656976749817613 16719943 64 18409159987555298554 17627616 140 18119245060848057082 17909252 39 17978516661086665320 19958102 18 18336254683063844876 21133410 230 18042709294143700907 21781051 124 17968954097059194787 22440779 20 16374134552153316930 23379529 103 18265898149383127832 23559900 14 18340761654235651152 23572383 38 18201725033601997614 3044373 233 16484472507285560814 3383291 50 18410566327715938443 395649 100 18408890638452672390 437795 70 18412268333187467670 437795 96 18272654558548329974 44062 13 18410574032623055274 4435113 14 17845109389346702758 4461854 278 15743891437827277074 474144 1 17751059333317490962 5085150 59 18270388383732156274 508706 21 18410567426895022551 5265222 85 18335422352767484165 5309563 4 16460796052947201539 56633871 153 17979081810121565811 59755656 215 18411132507115033230 6138700 20 18341609304780459751 6437827 68 18411700997934838934 70634741 139 18340774836165346776 > 553.42 14.45 5.58 1.04 24.4 2.92 0.01 4.76 5.43 -4 -0.76 0.91 0.08 2.52 > 1215.404 > 297.9 > 2 5 10 $$$$