2790 -OEChem-04252410033D 37 38 0 0 0 0 0 0 0999 V2000 6.7642 2.0502 -0.1528 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -2.2324 0.7332 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9769 1.0061 -0.9464 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0766 2.8267 -0.0482 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2297 -1.6473 -0.7649 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 -3.0349 -1.7384 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 -1.3675 1.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7319 -0.7208 0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 -1.4753 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 0.6758 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0078 1.7804 0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 -0.1835 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5887 -0.9290 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 2.3269 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1072 -2.2833 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -0.8119 0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8725 1.1258 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2828 -0.1195 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 1.8181 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2804 1.1956 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6394 -2.3659 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 -0.7840 2.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -1.3588 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4158 -0.6765 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1446 -0.4895 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8183 -2.0747 -0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4319 0.4083 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5642 1.9027 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 -1.6140 1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 -0.1802 0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8919 2.8605 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0941 -1.8366 0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9401 1.6199 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2143 -0.6174 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0581 2.8422 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 -3.5232 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -3.1530 -2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 3 27 1 0 0 0 0 4 11 1 0 0 0 0 4 14 2 0 0 0 0 5 13 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 11 28 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 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 M END > 2790 > 0.8 > 1 282 41 261 47 63 256 139 39 341 275 167 35 319 68 53 79 127 280 28 272 122 310 138 49 220 176 189 162 185 342 303 105 164 153 257 95 75 186 264 217 97 107 81 229 52 267 335 316 88 236 154 178 287 125 313 136 64 51 149 140 5 200 180 93 230 187 59 270 289 15 277 4 292 215 210 179 297 208 146 14 221 174 253 92 173 6 333 33 231 301 76 293 172 251 7 113 132 161 320 24 284 175 323 336 177 110 339 248 194 74 241 205 288 306 104 118 334 46 25 258 273 216 286 207 131 238 147 126 298 50 84 182 223 318 228 300 199 32 196 325 291 213 263 274 16 262 67 29 150 121 252 285 141 62 30 206 70 43 192 225 20 10 143 102 312 170 73 266 44 198 135 155 26 243 89 255 142 38 343 224 145 2 37 72 112 169 235 211 13 315 324 326 278 165 276 27 340 160 114 58 120 80 129 271 279 214 237 60 329 227 159 260 171 328 345 283 245 123 249 87 244 77 166 11 40 268 119 36 57 69 307 130 234 226 19 321 294 137 99 184 183 302 22 181 233 197 168 117 18 128 90 296 83 188 152 281 124 144 337 55 308 134 309 106 332 259 304 250 66 327 61 317 103 56 148 190 111 133 12 203 116 85 299 193 311 48 295 254 212 42 31 34 65 86 202 21 232 94 338 163 91 195 204 344 246 3 314 8 201 240 322 151 156 219 54 108 115 157 242 45 96 17 247 222 269 331 158 23 100 239 191 71 98 78 305 218 265 9 109 101 82 209 330 290 > 28 1 -0.18 10 -0.33 11 0.08 12 -0.14 13 0.39 14 0.04 15 0.64 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.37 20 0.18 27 0.27 28 0.15 3 0.03 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.4 37 0.4 4 -0.57 5 -0.7 6 -0.85 8 0.18 9 0.23 > 7 > 7 1 3 donor 1 6 donor 3 3 4 14 cation 3 5 6 15 cation 4 2 7 8 9 hydrophobe 5 3 4 10 11 14 rings 6 12 16 17 18 19 20 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 00000AE600000001 > 42.8834 > 35.521 > 105312 117 17774729752462380958 11370993 144 17749104478731260802 12107183 9 18116701933793146290 12596602 18 16660929997100772281 12892183 10 17894355500973457979 13103583 49 12324529680088292511 13167372 99 18333729144184561336 13257819 101 18201442501709709518 13402501 40 18408602544172125481 13785724 45 17904758883049899890 14123255 352 18409166597667962571 14251732 17 18335138652765007834 14251764 30 11527361862898007885 14251764 38 18267587914171587609 14251764 75 18053671266074577729 14347329 18 18341891887832612976 14957384 54 18409442605009036738 20281389 69 18411138086847152688 21302155 148 18261118486485598476 21315764 268 18336545027037388113 21388113 180 18341897363762817254 21401589 2 18335430045485584083 2838139 119 18411130320876381142 5372103 7 17678715883995470901 9981440 41 18114187411061897979 > 397.39 15.62 3.33 1.12 8.57 0.15 -0.22 12.92 1.13 -2.44 -0.93 -0.91 -0.47 0.57 > 803.953 > 234.8 > 2 5 10 $$$$