19124 -OEChem-10091907393D 37 36 0 1 0 0 0 0 0999 V2000 6.3342 -1.6260 0.9795 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 1.0383 -0.3077 S 0 0 2 0 0 0 0 0 0 0 0 0 2.5785 1.6999 1.0334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7224 0.3654 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 -0.3758 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9372 -0.5681 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2112 0.6028 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2702 0.1742 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -0.1374 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4851 -0.7559 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 -0.2241 -0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 0.4252 -0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8121 -0.0286 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 -0.5900 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8145 1.0624 -0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7305 0.9713 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 -1.0558 0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3767 -0.9911 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -1.2787 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9399 -1.1590 -0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 1.2690 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 1.2396 0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 0.7324 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3505 0.9136 -0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 -0.7788 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 -0.7597 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4856 -1.2990 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4016 -1.5074 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -0.8415 -1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 -0.8537 0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 1.0612 -1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3163 1.0892 0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9476 0.7068 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8625 0.4943 1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6431 -0.7394 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2253 -1.2413 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2791 -0.0769 -0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 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 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 M END > 19124 > 1 > 1 240 284 189 118 408 454 348 15 230 346 2 190 446 294 16 6 237 22 344 439 200 52 280 290 400 248 3 239 10 401 58 34 222 404 161 365 32 109 223 5 111 242 379 70 114 23 135 131 83 272 422 358 282 204 201 271 345 60 296 353 206 140 266 74 359 47 39 410 247 85 17 452 106 441 77 425 297 55 375 364 50 402 38 427 68 40 469 46 26 92 250 370 186 209 360 143 424 146 333 487 265 342 134 127 463 238 302 196 339 293 283 7 78 388 415 407 80 380 36 69 351 122 228 44 192 43 241 298 20 129 19 338 480 264 347 278 57 56 341 152 313 205 362 369 317 219 368 95 390 130 30 188 336 332 41 409 91 440 173 326 391 96 312 159 48 128 12 61 373 211 175 307 21 245 101 25 226 136 244 432 27 165 29 315 139 59 395 179 268 183 420 455 363 249 335 396 76 229 33 156 431 8 9 437 384 270 474 405 13 286 287 306 153 403 330 445 378 394 202 112 54 472 233 444 263 194 259 184 75 73 82 449 18 221 291 137 430 157 385 329 110 304 236 256 176 484 418 328 151 150 426 94 99 421 257 72 79 398 217 482 115 413 168 177 28 158 197 214 466 89 125 386 216 448 476 181 185 303 31 231 113 276 124 289 438 411 178 462 160 107 318 260 67 428 149 86 225 434 141 324 155 170 93 63 53 299 382 51 450 227 374 71 37 423 14 325 340 435 45 235 35 174 65 376 319 167 459 387 203 4 126 252 473 300 305 162 254 393 199 100 66 164 171 457 460 11 337 350 372 447 321 468 116 207 169 154 274 320 377 121 62 90 98 187 218 144 133 180 486 433 467 102 343 120 117 273 419 191 261 104 399 213 103 389 275 234 309 458 464 477 292 212 251 148 88 397 316 42 478 481 475 224 84 208 443 285 456 366 356 97 119 132 24 269 142 310 331 483 195 277 253 453 355 246 412 258 485 301 64 323 349 267 182 166 461 406 417 172 243 429 479 193 49 215 451 361 471 138 314 357 163 367 262 108 416 87 352 210 308 322 145 442 470 81 281 334 354 392 311 198 288 123 327 220 105 414 381 295 147 371 383 255 436 279 232 465 > 6 1 -0.29 11 0.19 14 0.29 2 0.11 3 -0.5 9 0.19 > 10 > 4 1 13 hydrophobe 1 3 acceptor 3 4 5 7 hydrophobe 3 6 8 10 hydrophobe > 14 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 00004AB400000001 > -1.4165 > 20.308 > 10968037 39 10665227064801776975 11638347 137 14836129836373127006 12091667 2 16515404080515612015 125118 31 13542470864406201835 12616971 3 17203040880850403989 12714333 28 9655577409160349372 13533116 47 18040426664294622395 14123256 10 12324240568074244879 14251718 22 8574715693752293725 14251752 14 18113894923092324197 14251764 18 18342742918243090904 14251764 46 17240483615230353351 14729087 3 14764354804397525835 17834076 25 17022621987909962605 20281389 69 18342175578996883289 20621476 38 18334011662411440074 20621476 8 17894629232825026045 20735858 18 17203609276495010166 20767249 213 10879991358759908111 21130983 4 10807933773280461054 21150785 3 15140683583235350870 22224240 67 14836402527978141397 23035841 295 18187082858397288475 23402539 116 17346876758597034197 23521765 1 18341897394175572311 246663 6 18113903745250678918 28498 318 18187643579231021791 328311 84 17748832916786553715 33532 11 18040433282813156763 42788 4 18410577296819305805 4325135 7 9511461126147550922 59755656 520 18114177566997075451 6438161 24 16878215391099415466 8209 1 18186240636384290455 > 287.96 21.63 1.22 0.8 17.3 0.08 0.11 7.25 1.07 -1.77 0.29 -0.72 -0.03 -0.43 > 495.366 > 192.2 > 2 5 10 $$$$