- INGREDIENTS AND APPEARANCE
(33WDQ7T81E)
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77 78 79 M SAL 1 8 80 81 82 83 84 85 86 87 M SAL 1 8 88 89 90 91 92 93 94 95 M SAL 1 8 96 97 98 99 100 101 102 103 M SAL 1 8 104 105 106 107 108 109 110 111 M SAL 1 8 112 113 114 115 116 117 118 119 M SAL 1 8 120 121 122 123 124 125 126 127 M SAL 1 8 129 137 138 139 140 141 142 143 M SAL 1 8 144 145 146 147 148 149 150 151 M SAL 1 8 152 153 154 155 156 157 158 159 M SAL 1 8 160 161 162 163 164 165 166 167 M SAL 1 8 168 169 170 171 172 173 174 175 M SAL 1 8 176 177 178 179 180 181 182 183 M SAL 1 8 184 185 186 187 188 189 190 191 M SAL 1 8 192 193 194 195 196 197 198 199 M SAL 1 8 200 201 202 203 204 205 206 207 M SAL 1 8 208 209 210 211 212 213 214 215 M SAL 1 8 216 217 218 219 220 221 222 223 M SAL 1 8 224 225 226 227 228 229 230 231 M SAL 1 8 232 233 234 235 236 237 238 239 M SAL 1 8 240 241 242 243 244 245 246 247 M SAL 1 8 248 249 250 251 252 253 254 255 M SAL 1 8 256 257 258 259 260 261 262 263 M SAL 1 8 264 265 266 267 268 269 270 271 M SAL 1 8 272 273 274 275 276 277 278 279 M SAL 1 8 280 281 282 283 284 285 286 287 M SAL 1 8 288 289 290 291 292 293 294 295 M SAL 1 8 296 297 298 299 300 301 302 303 M SAL 1 8 304 305 306 307 308 309 310 311 M SAL 1 8 312 313 314 315 316 317 318 319 M SAL 1 8 320 321 322 323 324 325 326 327 M SAL 1 8 328 329 330 331 332 333 334 335 M SAL 1 8 336 337 338 339 340 341 342 343 M SAL 1 8 344 345 346 347 348 349 350 351 M SAL 1 8 352 353 354 355 356 357 358 359 M SAL 1 8 360 361 362 363 364 365 366 367 M SAL 1 8 368 369 370 371 372 373 374 375 M SAL 1 8 376 377 378 379 380 381 382 383 M SAL 1 8 384 385 386 387 388 389 390 391 M SAL 1 8 392 393 394 395 396 397 398 399 M SAL 1 8 400 401 402 403 404 405 406 407 M SAL 1 8 408 409 410 411 412 413 414 415 M SAL 1 8 416 417 418 419 420 421 422 423 M SAL 1 8 424 425 426 427 428 429 430 431 M SAL 1 8 432 433 434 435 436 437 438 439 M SAL 1 8 440 441 442 443 444 445 446 447 M SAL 1 8 448 449 450 451 452 453 454 455 M SAL 1 8 456 457 458 459 460 461 462 463 M SAL 1 8 464 465 466 467 468 469 470 471 M SAL 1 8 472 473 474 475 476 477 478 479 M SAL 1 8 480 481 482 483 484 485 486 487 M SAL 1 8 488 489 490 491 492 493 494 495 M SAL 1 8 496 497 498 499 500 501 502 503 M SAL 1 8 504 505 506 507 508 509 510 511 M SAL 1 8 512 513 514 515 516 517 518 519 M SAL 1 8 520 521 522 523 524 525 526 527 M SAL 1 8 528 529 530 531 532 533 534 535 M SAL 1 8 536 537 538 539 540 541 542 543 M SAL 1 8 544 545 546 547 548 549 550 551 M SAL 1 8 552 553 554 555 556 557 558 559 M SAL 1 8 560 561 562 563 564 565 566 567 M SAL 1 8 568 569 570 571 572 573 574 575 M SAL 1 8 576 577 578 579 580 581 582 583 M SAL 1 8 584 585 586 587 588 589 590 591 M SAL 1 8 592 593 594 595 596 597 598 599 M SAL 1 8 600 601 602 603 604 605 606 607 M SAL 1 8 608 609 610 611 612 613 614 615 M SAL 1 8 616 617 618 619 620 621 622 623 M SAL 1 8 624 625 626 627 628 629 630 631 M SAL 1 8 632 633 634 635 636 637 638 639 M SAL 1 8 640 641 642 643 644 645 646 647 M SAL 1 1 648 M SPA 1 8 1 2 3 4 5 6 7 8 M SPA 1 8 9 10 11 12 13 14 15 16 M SPA 1 8 17 18 19 20 21 22 23 24 M SPA 1 8 25 26 27 28 29 30 31 32 M SPA 1 8 33 34 35 36 37 38 39 40 M SPA 1 8 41 42 43 44 45 46 47 48 M SPA 1 8 49 50 51 52 53 54 55 56 M SPA 1 8 57 58 59 60 61 62 63 64 M SPA 1 8 65 66 67 68 69 70 71 72 M SPA 1 8 73 74 75 76 77 78 79 80 M SPA 1 8 81 82 83 84 85 86 87 88 M SPA 1 8 89 90 91 92 93 94 95 96 M SPA 1 8 97 98 99 100 101 102 103 104 M SPA 1 8 105 106 107 108 109 110 111 112 M SPA 1 8 113 114 115 116 117 118 119 120 M SPA 1 8 121 122 123 124 125 126 127 129 M SMT 1 5 M SDI 1 4 1.1462 -15.4767 1.1462 -1.0383 M SDI 1 4 20.5130 -1.0383 20.5130 -15.4767 M SAL 2 8 128 130 131 132 133 134 135 136 M SPA 2 1 128 M SMT 2 8 M SDI 2 4 21.8186 -8.7142 21.8186 -7.1758 M SDI 2 4 23.8093 -7.1758 23.8093 -8.7142 M ENDChemical Structures, InChI InChI=1S/5C87H98Cl2N10O28.8ClH/c5*1-37(2)12-9-7-6-8-10-13-60(105)93-69-72(108)74(110)77(85(119)120)127-86(69)126-76-57-30-42-31-58(76)123-54-23-18-41(28-49(54)88)70(106)68-84(118)97-66(79(113)91-24-11-25-99(4)5)47-32-43(101)33-56(124-87-75(111)73(109)71(107)59(36-100)125-87)61(47)46-27-39(16-21-51(46)102)64(81(115)98-68)94-82(116)65(42)95-83(117)67-48-34-45(35-53(104)62(48)89)122-55-29-40(17-22-52(55)103)63(90-3)80(114)92-50(78(112)96-67)26-38-14-19-44(121-57)20-15-38;;;;;;;;/h5*14-23,27-35,37,50,59,63-75,77,86-87,90,100-104,106-111H,6-13,24-26,36H2,1-5H3,(H,91,113)(H,92,114)(H,93,105)(H,94,116)(H,95,117)(H,96,112)(H,97,118)(H,98,115)(H,119,120);8*1H/t5*50-,59-,63-,64-,65-,66+,67+,68+,69-,70-,71-,72-,73+,74+,75+,77+,86-,87+;;;;;;;;/m11111......../s1 Chemical Structure, InChI Key WPNCURJEDGILLS-BBMAAFOLSA-N Moiety (mixture component) Name Quantity Undefined not 0 Moiety Characteristics Chemical Structure, MOLFILE -FDASRS-06211411022D 648700 0 0 1 0 0 0 0 0999 V2000 8.4341 -7.7616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6965 -3.0825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2341 -3.0699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0590 -8.1241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5924 -3.7032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1090 -9.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3049 -9.1658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8673 -8.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3257 -3.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1090 -8.1116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7424 -7.7449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8507 -8.1158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9549 -7.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9424 -12.5200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4799 -7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3091 -10.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6924 -7.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5882 -8.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3007 -12.8783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3382 -2.4491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6757 -9.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6049 -2.4491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2257 -5.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 -9.7283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2674 -7.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3007 -13.6075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2216 -7.7491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6382 -8.1033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5965 -5.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3757 -8.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3215 -8.1241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8507 -5.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5715 -12.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3091 -11.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 -4.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2216 -6.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9340 -13.9741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9632 -5.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4715 -9.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5715 -13.6158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0049 -7.7408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4341 -6.5158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6757 -9.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9424 -11.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9965 -10.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3215 -8.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4298 -3.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4841 -5.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2548 -10.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4965 -3.0699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0673 -6.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4299 -9.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4715 -10.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7340 -10.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8965 -9.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8965 -8.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5965 -6.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3340 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8507 -6.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0965 -10.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6799 -11.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2548 -9.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7340 -9.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 -5.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0673 -5.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3090 -10.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8674 -2.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 -10.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0216 -8.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4799 -7.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6924 -7.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5882 -8.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8840 -10.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2674 -7.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 -11.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3757 -8.8324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0049 -6.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9466 -9.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 -6.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5257 -9.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7924 -2.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4965 -10.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3340 -6.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1132 -5.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8674 -1.9700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9466 -9.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5257 -10.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6674 -12.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 -9.6021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2424 -1.8075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7090 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6632 -13.9700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8382 -9.1366 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.5299 -7.7324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9340 -14.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3757 -6.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 -4.3366 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7965 -6.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7924 -3.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8299 -10.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2342 -9.4422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3090 -11.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2007 -13.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8840 -11.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 -11.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7424 -5.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1132 -6.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7382 -6.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3757 -5.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2037 -9.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2007 -14.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2340 -3.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7727 -10.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5909 -10.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1632 -8.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4981 -9.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1798 -3.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6049 -2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8174 -2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4465 -3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9715 -3.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0799 -2.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 -3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3424 -2.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7132 -2.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 -7.9450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 -7.9450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 -7.9450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 -7.9450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 -7.9450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 -7.9450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 -7.9450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 -7.9450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4341 -7.7616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6965 -3.0825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2341 -3.0699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0590 -8.1241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5924 -3.7032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1090 -9.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3049 -9.1658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8673 -8.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3257 -3.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1090 -8.1116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7424 -7.7449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8507 -8.1158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9549 -7.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9424 -12.5200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4799 -7.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3091 -10.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6924 -7.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 -10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5882 -8.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3007 -12.8783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3382 -2.4491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6757 -9.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6049 -2.4491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2257 -5.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 -9.7283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2674 -7.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3007 -13.6075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2216 -7.7491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6382 -8.1033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5965 -5.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3757 -8.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3215 -8.1241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8507 -5.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5715 -12.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3091 -11.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 -4.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2216 -6.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9340 -13.9741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9632 -5.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4715 -9.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5715 -13.6158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0049 -7.7408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4341 -6.5158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6757 -9.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9424 -11.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9965 -10.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3215 -8.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4298 -3.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4841 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0 0 0 0 394413 1 0 0 0 0 455448 2 0 0 0 0 473480 2 0 0 0 0 522529 1 0 0 0 0 523525 1 0 0 0 0 521524 1 6 0 0 0 525556 1 1 0 0 0 526530 1 0 0 0 0 527528 1 0 0 0 0 528521 1 0 0 0 0 529525 1 0 0 0 0 530535 1 0 0 0 0 530531 1 1 0 0 0 548532 1 1 0 0 0 533552 1 0 0 0 0 534565 1 1 0 0 0 535532 1 0 0 0 0 536538 2 0 0 0 0 537524 1 0 0 0 0 538545 1 0 0 0 0 539533 1 0 0 0 0 540534 1 0 0 0 0 541543 1 0 0 0 0 542536 1 0 0 0 0 543523 1 0 0 0 0 544550 1 0 0 0 0 545527 1 0 0 0 0 546549 1 0 0 0 0 547540 1 0 0 0 0 548539 1 0 0 0 0 562549 1 1 0 0 0 550559 1 0 0 0 0 551531 1 0 0 0 0 552537 1 6 0 0 0 553580 1 0 0 0 0 554534 1 0 0 0 0 555536 1 0 0 0 0 556544 1 0 0 0 0 557548 1 0 0 0 0 558547 1 0 0 0 0 559579 1 0 0 0 0 560526 2 0 0 0 0 561554 1 0 0 0 0 562551 1 0 0 0 0 563521 1 0 0 0 0 564567 2 0 0 0 0 565555 1 0 0 0 0 566575 1 0 0 0 0 567552 1 0 0 0 0 522568 1 1 0 0 0 569553 1 0 0 0 0 570566 1 0 0 0 0 571523 1 0 0 0 0 572563 1 0 0 0 0 545573 1 1 0 0 0 574560 1 0 0 0 0 575584 2 0 0 0 0 576577 1 0 0 0 0 577546 1 0 0 0 0 578557 1 0 0 0 0 579604 1 0 0 0 0 580557 2 0 0 0 0 581575 1 0 0 0 0 582596 1 0 0 0 0 583570 1 0 0 0 0 584526 1 0 0 0 0 585586 1 0 0 0 0 586572 2 0 0 0 0 587542 2 0 0 0 0 588571 1 0 0 0 0 589538 1 0 0 0 0 590528 2 0 0 0 0 591535 2 0 0 0 0 592537 2 0 0 0 0 593539 2 0 0 0 0 594570 2 0 0 0 0 595546 2 0 0 0 0 596589 2 0 0 0 0 597551 2 0 0 0 0 598562 1 0 0 0 0 599567 1 0 0 0 0 600572 1 0 0 0 0 601576 1 0 0 0 0 602568 2 0 0 0 0 603573 2 0 0 0 0 604600 2 0 0 0 0 605569 1 0 0 0 0 606588 2 0 0 0 0 607599 2 0 0 0 0 608594 1 0 0 0 0 540609 1 6 0 0 0 610573 1 0 0 0 0 543611 1 1 0 0 0 541612 1 6 0 0 0 547613 1 6 0 0 0 614560 1 0 0 0 0 577615 1 6 0 0 0 558616 1 1 0 0 0 617598 1 0 0 0 0 618585 1 0 0 0 0 563619 1 6 0 0 0 620568 1 0 0 0 0 621574 1 0 0 0 0 622635 1 0 0 0 0 623587 1 0 0 0 0 561624 1 6 0 0 0 625594 1 0 0 0 0 626596 1 0 0 0 0 627605 1 0 0 0 0 628605 2 0 0 0 0 629628 1 0 0 0 0 630627 2 0 0 0 0 631634 1 0 0 0 0 632624 1 0 0 0 0 633588 1 0 0 0 0 634610 1 0 0 0 0 635631 1 0 0 0 0 636615 1 0 0 0 0 637622 1 0 0 0 0 638622 1 0 0 0 0 639641 1 0 0 0 0 640633 1 0 0 0 0 641642 1 0 0 0 0 642644 1 0 0 0 0 643640 1 0 0 0 0 644645 1 0 0 0 0 645646 1 0 0 0 0 646643 1 0 0 0 0 647639 1 0 0 0 0 523648 1 1 0 0 0 585579 2 0 0 0 0 542564 1 0 0 0 0 607587 1 0 0 0 0 555582 2 0 0 0 0 578550 2 0 0 0 0 544553 2 0 0 0 0 561558 1 0 0 0 0 581574 2 0 0 0 0 630617 1 0 0 0 0 617629 2 0 0 0 0 522541 1 0 0 0 0 583576 2 0 0 0 0 601608 2 0 0 0 0 M STY 2 1 MUL 2 MUL M SLB 2 1 1 2 2 M SAL 1 8 16 17 18 19 20 21 22 23 M SAL 1 8 24 25 26 27 28 29 30 31 M SAL 1 8 32 33 34 35 36 37 38 39 M SAL 1 8 40 41 42 43 44 45 46 47 M SAL 1 8 48 49 50 51 52 53 54 55 M SAL 1 8 56 57 58 59 60 61 62 63 M SAL 1 8 64 65 66 67 68 69 70 71 M SAL 1 8 72 73 74 75 76 77 78 79 M SAL 1 8 80 81 82 83 84 85 86 87 M SAL 1 8 88 89 90 91 92 93 94 95 M SAL 1 8 96 97 98 99 100 101 102 103 M SAL 1 8 104 105 106 107 108 109 110 111 M SAL 1 8 112 113 114 115 116 117 118 119 M SAL 1 8 120 121 122 123 124 125 126 127 M SAL 1 8 128 137 138 139 140 141 142 143 M SAL 1 8 144 145 146 147 148 149 150 151 M SAL 1 8 152 153 154 155 156 157 158 159 M SAL 1 8 160 161 162 163 164 165 166 167 M SAL 1 8 168 169 170 171 172 173 174 175 M SAL 1 8 176 177 178 179 180 181 182 183 M SAL 1 8 184 185 186 187 188 189 190 191 M SAL 1 8 192 193 194 195 196 197 198 199 M SAL 1 8 200 201 202 203 204 205 206 207 M SAL 1 8 208 209 210 211 212 213 214 215 M SAL 1 8 216 217 218 219 220 221 222 223 M SAL 1 8 224 225 226 227 228 229 230 231 M SAL 1 8 232 233 234 235 236 237 238 239 M SAL 1 8 240 241 242 243 244 245 246 247 M SAL 1 8 248 249 250 251 252 253 254 255 M SAL 1 8 256 257 258 259 260 261 262 263 M SAL 1 8 264 265 266 267 268 269 270 271 M SAL 1 8 272 273 274 275 276 277 278 279 M SAL 1 8 280 281 282 283 284 285 286 287 M SAL 1 8 288 289 290 291 292 293 294 295 M SAL 1 8 296 297 298 299 300 301 302 303 M SAL 1 8 304 305 306 307 308 309 310 311 M SAL 1 8 312 313 314 315 316 317 318 319 M SAL 1 8 320 321 322 323 324 325 326 327 M SAL 1 8 328 329 330 331 332 333 334 335 M SAL 1 8 336 337 338 339 340 341 342 343 M SAL 1 8 344 345 346 347 348 349 350 351 M SAL 1 8 352 353 354 355 356 357 358 359 M SAL 1 8 360 361 362 363 364 365 366 367 M SAL 1 8 368 369 370 371 372 373 374 375 M SAL 1 8 376 377 378 379 380 381 382 383 M SAL 1 8 384 385 386 387 388 389 390 391 M SAL 1 8 392 393 394 395 396 397 398 399 M SAL 1 8 400 401 402 403 404 405 406 407 M SAL 1 8 408 409 410 411 412 413 414 415 M SAL 1 8 416 417 418 419 420 421 422 423 M SAL 1 8 424 425 426 427 428 429 430 431 M SAL 1 8 432 433 434 435 436 437 438 439 M SAL 1 8 440 441 442 443 444 445 446 447 M SAL 1 8 448 449 450 451 452 453 454 455 M SAL 1 8 456 457 458 459 460 461 462 463 M SAL 1 8 464 465 466 467 468 469 470 471 M SAL 1 8 472 473 474 475 476 477 478 479 M SAL 1 8 480 481 482 483 484 485 486 487 M SAL 1 8 488 489 490 491 492 493 494 495 M SAL 1 8 496 497 498 499 500 501 502 503 M SAL 1 8 504 505 506 507 508 509 510 511 M SAL 1 8 512 513 514 515 516 517 518 519 M SAL 1 8 520 521 522 523 524 525 526 527 M SAL 1 8 528 529 530 531 532 533 534 535 M SAL 1 8 536 537 538 539 540 541 542 543 M SAL 1 8 544 545 546 547 548 549 550 551 M SAL 1 8 552 553 554 555 556 557 558 559 M SAL 1 8 560 561 562 563 564 565 566 567 M SAL 1 8 568 569 570 571 572 573 574 575 M SAL 1 8 576 577 578 579 580 581 582 583 M SAL 1 8 584 585 586 587 588 589 590 591 M SAL 1 8 592 593 594 595 596 597 598 599 M SAL 1 8 600 601 602 603 604 605 606 607 M SAL 1 8 608 609 610 611 612 613 614 615 M SAL 1 8 616 617 618 619 620 621 622 623 M SAL 1 8 624 625 626 627 628 629 630 631 M SAL 1 8 632 633 634 635 636 637 638 639 M SAL 1 8 640 641 642 643 644 645 646 647 M SAL 1 1 648 M SPA 1 8 1 2 3 4 5 6 7 8 M SPA 1 8 9 10 11 12 13 14 15 16 M SPA 1 8 17 18 19 20 21 22 23 24 M SPA 1 8 25 26 27 28 29 30 31 32 M SPA 1 8 33 34 35 36 37 38 39 40 M SPA 1 8 41 42 43 44 45 46 47 48 M SPA 1 8 49 50 51 52 53 54 55 56 M SPA 1 8 57 58 59 60 61 62 63 64 M SPA 1 8 65 66 67 68 69 70 71 72 M SPA 1 8 73 74 75 76 77 78 79 80 M SPA 1 8 81 82 83 84 85 86 87 88 M SPA 1 8 89 90 91 92 93 94 95 96 M SPA 1 8 97 98 99 100 101 102 103 104 M SPA 1 8 105 106 107 108 109 110 111 112 M SPA 1 8 113 114 115 116 117 118 119 120 M SPA 1 8 121 122 123 124 125 126 127 128 M SMT 1 5 M SDI 1 4 1.1462 -15.4767 1.1462 -1.0383 M SDI 1 4 20.5130 -1.0383 20.5130 -15.4767 M SAL 2 8 129 130 131 132 133 134 135 136 M SPA 2 1 129 M SMT 2 8 M SDI 2 4 21.8186 -8.7142 21.8186 -7.1758 M SDI 2 4 23.8093 -7.1758 23.8093 -8.7142 M ENDChemical Structures, InChI InChI=1S/5C87H98Cl2N10O28.8ClH/c5*1-5-6-7-8-9-10-11-12-14-60(105)93-69-72(108)74(110)77(85(119)120)127-86(69)126-76-57-31-42-32-58(76)123-54-24-19-41(29-49(54)88)70(106)68-84(118)97-66(79(113)91-25-13-26-99(3)4)47-33-43(101)34-56(124-87-75(111)73(109)71(107)59(37-100)125-87)61(47)46-28-39(17-22-51(46)102)64(81(115)98-68)94-82(116)65(42)95-83(117)67-48-35-45(36-53(104)62(48)89)122-55-30-40(18-23-52(55)103)63(90-2)80(114)92-50(78(112)96-67)27-38-15-20-44(121-57)21-16-38;;;;;;;;/h5*15-24,28-36,50,59,63-75,77,86-87,90,100-104,106-111H,5-14,25-27,37H2,1-4H3,(H,91,113)(H,92,114)(H,93,105)(H,94,116)(H,95,117)(H,96,112)(H,97,118)(H,98,115)(H,119,120);8*1H/t5*50-,59-,63-,64-,65-,66+,67+,68+,69-,70-,71-,72-,73+,74+,75+,77+,86-,87+;;;;;;;;/m11111......../s1 Chemical Structure, InChI Key MQVCEBIOFIUZDQ-BBMAAFOLSA-N Moiety (mixture component) Name Quantity Undefined not 0 Moiety Characteristics Chemical Structure, MOLFILE -FDASRS-06211411022D 653705 0 0 1 0 0 0 0 0999 V2000 8.1982 -7.9416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4606 -3.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9982 -3.2499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8231 -8.3041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3565 -3.8832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8731 -9.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 -9.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6314 -8.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0898 -3.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8731 -8.2916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5065 -7.9249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6148 -8.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7190 -7.9332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -12.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2440 -7.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0732 -10.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4565 -7.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4481 -10.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3523 -8.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0648 -13.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1023 -2.6291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4398 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3690 -2.6291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9898 -5.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4481 -9.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0315 -7.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0648 -13.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9857 -7.9291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4023 -8.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3606 -5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1398 -8.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0856 -8.3041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6148 -5.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3356 -13.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0732 -11.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9898 -4.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9857 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6981 -14.1541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7273 -5.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2356 -9.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3356 -13.7958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7690 -7.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1982 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4398 -9.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -11.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7606 -10.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0856 -9.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1939 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2482 -5.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0189 -10.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2606 -3.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8314 -6.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 -10.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2356 -10.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4981 -10.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6606 -9.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6606 -8.2791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3606 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0981 -5.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6148 -6.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8606 -10.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 -11.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0189 -9.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4981 -9.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4648 -5.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8314 -5.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0731 -10.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6315 -2.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 -10.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7857 -8.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2440 -7.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4565 -7.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3523 -9.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6481 -10.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0315 -7.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 -11.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1398 -9.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7690 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7107 -9.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4648 -6.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2898 -9.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5565 -2.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2606 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0 0 0 567623 1 6 0 0 0 624572 1 0 0 0 0 625578 1 0 0 0 0 626639 1 0 0 0 0 627591 1 0 0 0 0 565628 1 6 0 0 0 629598 1 0 0 0 0 630600 1 0 0 0 0 631609 1 0 0 0 0 632609 2 0 0 0 0 633632 1 0 0 0 0 634631 2 0 0 0 0 635638 1 0 0 0 0 636628 1 0 0 0 0 637592 1 0 0 0 0 638614 1 0 0 0 0 639635 1 0 0 0 0 640619 1 0 0 0 0 641626 1 0 0 0 0 642626 1 0 0 0 0 643645 1 0 0 0 0 644637 1 0 0 0 0 645646 1 0 0 0 0 646648 1 0 0 0 0 647644 1 0 0 0 0 648649 1 0 0 0 0 649650 1 0 0 0 0 650647 1 0 0 0 0 651643 1 0 0 0 0 527652 1 1 0 0 0 589583 2 0 0 0 0 546568 1 0 0 0 0 611591 1 0 0 0 0 559586 2 0 0 0 0 582554 2 0 0 0 0 548557 2 0 0 0 0 565562 1 0 0 0 0 585578 2 0 0 0 0 634621 1 0 0 0 0 621633 2 0 0 0 0 526545 1 0 0 0 0 587580 2 0 0 0 0 605612 2 0 0 0 0 651653 1 0 0 0 0 M STY 2 1 MUL 2 MUL M SLB 2 1 1 2 2 M SAL 1 8 16 17 18 19 20 21 22 23 M SAL 1 8 24 25 26 27 28 29 30 31 M SAL 1 8 32 33 34 35 36 37 38 39 M SAL 1 8 40 41 42 43 44 45 46 47 M SAL 1 8 48 49 50 51 52 53 54 55 M SAL 1 8 56 57 58 59 60 61 62 63 M SAL 1 8 64 65 66 67 68 69 70 71 M SAL 1 8 72 73 74 75 76 77 78 79 M SAL 1 8 80 81 82 83 84 85 86 87 M SAL 1 8 88 89 90 91 92 93 94 95 M SAL 1 8 96 97 98 99 100 101 102 103 M SAL 1 8 104 105 106 107 108 109 110 111 M SAL 1 8 112 113 114 115 116 117 118 119 M SAL 1 8 120 121 122 123 124 125 126 127 M SAL 1 8 128 129 138 139 140 141 142 143 M SAL 1 8 144 145 146 147 148 149 150 151 M SAL 1 8 152 153 154 155 156 157 158 159 M SAL 1 8 160 161 162 163 164 165 166 167 M SAL 1 8 168 169 170 171 172 173 174 175 M SAL 1 8 176 177 178 179 180 181 182 183 M SAL 1 8 184 185 186 187 188 189 190 191 M SAL 1 8 192 193 194 195 196 197 198 199 M SAL 1 8 200 201 202 203 204 205 206 207 M SAL 1 8 208 209 210 211 212 213 214 215 M SAL 1 8 216 217 218 219 220 221 222 223 M SAL 1 8 224 225 226 227 228 229 230 231 M SAL 1 8 232 233 234 235 236 237 238 239 M SAL 1 8 240 241 242 243 244 245 246 247 M SAL 1 8 248 249 250 251 252 253 254 255 M SAL 1 8 256 257 258 259 260 261 262 263 M SAL 1 8 264 265 266 267 268 269 270 271 M SAL 1 8 272 273 274 275 276 277 278 279 M SAL 1 8 280 281 282 283 284 285 286 287 M SAL 1 8 288 289 290 291 292 293 294 295 M SAL 1 8 296 297 298 299 300 301 302 303 M SAL 1 8 304 305 306 307 308 309 310 311 M SAL 1 8 312 313 314 315 316 317 318 319 M SAL 1 8 320 321 322 323 324 325 326 327 M SAL 1 8 328 329 330 331 332 333 334 335 M SAL 1 8 336 337 338 339 340 341 342 343 M SAL 1 8 344 345 346 347 348 349 350 351 M SAL 1 8 352 353 354 355 356 357 358 359 M SAL 1 8 360 361 362 363 364 365 366 367 M SAL 1 8 368 369 370 371 372 373 374 375 M SAL 1 8 376 377 378 379 380 381 382 383 M SAL 1 8 384 385 386 387 388 389 390 391 M SAL 1 8 392 393 394 395 396 397 398 399 M SAL 1 8 400 401 402 403 404 405 406 407 M SAL 1 8 408 409 410 411 412 413 414 415 M SAL 1 8 416 417 418 419 420 421 422 423 M SAL 1 8 424 425 426 427 428 429 430 431 M SAL 1 8 432 433 434 435 436 437 438 439 M SAL 1 8 440 441 442 443 444 445 446 447 M SAL 1 8 448 449 450 451 452 453 454 455 M SAL 1 8 456 457 458 459 460 461 462 463 M SAL 1 8 464 465 466 467 468 469 470 471 M SAL 1 8 472 473 474 475 476 477 478 479 M SAL 1 8 480 481 482 483 484 485 486 487 M SAL 1 8 488 489 490 491 492 493 494 495 M SAL 1 8 496 497 498 499 500 501 502 503 M SAL 1 8 504 505 506 507 508 509 510 511 M SAL 1 8 512 513 514 515 516 517 518 519 M SAL 1 8 520 521 522 523 524 525 526 527 M SAL 1 8 528 529 530 531 532 533 534 535 M SAL 1 8 536 537 538 539 540 541 542 543 M SAL 1 8 544 545 546 547 548 549 550 551 M SAL 1 8 552 553 554 555 556 557 558 559 M SAL 1 8 560 561 562 563 564 565 566 567 M SAL 1 8 568 569 570 571 572 573 574 575 M SAL 1 8 576 577 578 579 580 581 582 583 M SAL 1 8 584 585 586 587 588 589 590 591 M SAL 1 8 592 593 594 595 596 597 598 599 M SAL 1 8 600 601 602 603 604 605 606 607 M SAL 1 8 608 609 610 611 612 613 614 615 M SAL 1 8 616 617 618 619 620 621 622 623 M SAL 1 8 624 625 626 627 628 629 630 631 M SAL 1 8 632 633 634 635 636 637 638 639 M SAL 1 8 640 641 642 643 644 645 646 647 M SAL 1 6 648 649 650 651 652 653 M SPA 1 8 1 2 3 4 5 6 7 8 M SPA 1 8 9 10 11 12 13 14 15 16 M SPA 1 8 17 18 19 20 21 22 23 24 M SPA 1 8 25 26 27 28 29 30 31 32 M SPA 1 8 33 34 35 36 37 38 39 40 M SPA 1 8 41 42 43 44 45 46 47 48 M SPA 1 8 49 50 51 52 53 54 55 56 M SPA 1 8 57 58 59 60 61 62 63 64 M SPA 1 8 65 66 67 68 69 70 71 72 M SPA 1 8 73 74 75 76 77 78 79 80 M SPA 1 8 81 82 83 84 85 86 87 88 M SPA 1 8 89 90 91 92 93 94 95 96 M SPA 1 8 97 98 99 100 101 102 103 104 M SPA 1 8 105 106 107 108 109 110 111 112 M SPA 1 8 113 114 115 116 117 118 119 120 M SPA 1 8 121 122 123 124 125 126 127 128 M SPA 1 1 129 M SMT 1 5 M SDI 1 4 0.9103 -15.6567 0.9103 -1.2183 M SDI 1 4 20.2772 -1.2183 20.2772 -15.6567 M SAL 2 8 130 131 132 133 134 135 136 137 M SPA 2 1 130 M SMT 2 8 M SDI 2 4 22.0203 -7.9567 22.0203 -6.4183 M SDI 2 4 24.0110 -6.4183 24.0110 -7.9567 M ENDChemical Structures, InChI InChI=1S/5C88H100Cl2N10O28.8ClH/c5*1-5-6-7-8-9-10-11-12-13-15-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-32-43-33-59(77)124-55-25-20-42(30-50(55)89)71(107)69-85(119)98-67(80(114)92-26-14-27-100(3)4)48-34-44(102)35-57(125-88-76(112)74(110)72(108)60(38-101)126-88)62(48)47-29-40(18-23-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-36-46(37-54(105)63(49)90)123-56-31-41(19-24-53(56)104)64(91-2)81(115)93-51(79(113)97-68)28-39-16-21-45(122-58)22-17-39;;;;;;;;/h5*16-25,29-37,51,60,64-76,78,87-88,91,101-105,107-112H,5-15,26-28,38H2,1-4H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121);8*1H/t5*51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+;;;;;;;;/m11111......../s1 Chemical Structure, InChI Key RCJAZPZRAROQAD-XERKAGHASA-N Moiety (mixture component) Name Quantity Undefined not 0 Moiety Characteristics Chemical Structure, MOLFILE -FDASRS-06211411022D 653705 0 0 1 0 0 0 0 0999 V2000 8.3545 -7.6916 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61 62 63 M SAL 1 8 64 65 66 67 68 69 70 71 M SAL 1 8 72 73 74 75 76 77 78 79 M SAL 1 8 80 81 82 83 84 85 86 87 M SAL 1 8 88 89 90 91 92 93 94 95 M SAL 1 8 96 97 98 99 100 101 102 103 M SAL 1 8 104 105 106 107 108 109 110 111 M SAL 1 8 112 113 114 115 116 117 118 119 M SAL 1 8 120 121 122 123 124 125 126 127 M SAL 1 8 128 129 138 139 140 141 142 143 M SAL 1 8 144 145 146 147 148 149 150 151 M SAL 1 8 152 153 154 155 156 157 158 159 M SAL 1 8 160 161 162 163 164 165 166 167 M SAL 1 8 168 169 170 171 172 173 174 175 M SAL 1 8 176 177 178 179 180 181 182 183 M SAL 1 8 184 185 186 187 188 189 190 191 M SAL 1 8 192 193 194 195 196 197 198 199 M SAL 1 8 200 201 202 203 204 205 206 207 M SAL 1 8 208 209 210 211 212 213 214 215 M SAL 1 8 216 217 218 219 220 221 222 223 M SAL 1 8 224 225 226 227 228 229 230 231 M SAL 1 8 232 233 234 235 236 237 238 239 M SAL 1 8 240 241 242 243 244 245 246 247 M SAL 1 8 248 249 250 251 252 253 254 255 M SAL 1 8 256 257 258 259 260 261 262 263 M SAL 1 8 264 265 266 267 268 269 270 271 M SAL 1 8 272 273 274 275 276 277 278 279 M SAL 1 8 280 281 282 283 284 285 286 287 M SAL 1 8 288 289 290 291 292 293 294 295 M SAL 1 8 296 297 298 299 300 301 302 303 M SAL 1 8 304 305 306 307 308 309 310 311 M SAL 1 8 312 313 314 315 316 317 318 319 M SAL 1 8 320 321 322 323 324 325 326 327 M SAL 1 8 328 329 330 331 332 333 334 335 M SAL 1 8 336 337 338 339 340 341 342 343 M SAL 1 8 344 345 346 347 348 349 350 351 M SAL 1 8 352 353 354 355 356 357 358 359 M SAL 1 8 360 361 362 363 364 365 366 367 M SAL 1 8 368 369 370 371 372 373 374 375 M SAL 1 8 376 377 378 379 380 381 382 383 M SAL 1 8 384 385 386 387 388 389 390 391 M SAL 1 8 392 393 394 395 396 397 398 399 M SAL 1 8 400 401 402 403 404 405 406 407 M SAL 1 8 408 409 410 411 412 413 414 415 M SAL 1 8 416 417 418 419 420 421 422 423 M SAL 1 8 424 425 426 427 428 429 430 431 M SAL 1 8 432 433 434 435 436 437 438 439 M SAL 1 8 440 441 442 443 444 445 446 447 M SAL 1 8 448 449 450 451 452 453 454 455 M SAL 1 8 456 457 458 459 460 461 462 463 M SAL 1 8 464 465 466 467 468 469 470 471 M SAL 1 8 472 473 474 475 476 477 478 479 M SAL 1 8 480 481 482 483 484 485 486 487 M SAL 1 8 488 489 490 491 492 493 494 495 M SAL 1 8 496 497 498 499 500 501 502 503 M SAL 1 8 504 505 506 507 508 509 510 511 M SAL 1 8 512 513 514 515 516 517 518 519 M SAL 1 8 520 521 522 523 524 525 526 527 M SAL 1 8 528 529 530 531 532 533 534 535 M SAL 1 8 536 537 538 539 540 541 542 543 M SAL 1 8 544 545 546 547 548 549 550 551 M SAL 1 8 552 553 554 555 556 557 558 559 M SAL 1 8 560 561 562 563 564 565 566 567 M SAL 1 8 568 569 570 571 572 573 574 575 M SAL 1 8 576 577 578 579 580 581 582 583 M SAL 1 8 584 585 586 587 588 589 590 591 M SAL 1 8 592 593 594 595 596 597 598 599 M SAL 1 8 600 601 602 603 604 605 606 607 M SAL 1 8 608 609 610 611 612 613 614 615 M SAL 1 8 616 617 618 619 620 621 622 623 M SAL 1 8 624 625 626 627 628 629 630 631 M SAL 1 8 632 633 634 635 636 637 638 639 M SAL 1 8 640 641 642 643 644 645 646 647 M SAL 1 6 648 649 650 651 652 653 M SPA 1 8 1 2 3 4 5 6 7 8 M SPA 1 8 9 10 11 12 13 14 15 16 M SPA 1 8 17 18 19 20 21 22 23 24 M SPA 1 8 25 26 27 28 29 30 31 32 M SPA 1 8 33 34 35 36 37 38 39 40 M SPA 1 8 41 42 43 44 45 46 47 48 M SPA 1 8 49 50 51 52 53 54 55 56 M SPA 1 8 57 58 59 60 61 62 63 64 M SPA 1 8 65 66 67 68 69 70 71 72 M SPA 1 8 73 74 75 76 77 78 79 80 M SPA 1 8 81 82 83 84 85 86 87 88 M SPA 1 8 89 90 91 92 93 94 95 96 M SPA 1 8 97 98 99 100 101 102 103 104 M SPA 1 8 105 106 107 108 109 110 111 112 M SPA 1 8 113 114 115 116 117 118 119 120 M SPA 1 8 121 122 123 124 125 126 127 128 M SPA 1 1 129 M SMT 1 5 M SDI 1 4 1.0666 -15.4067 1.0666 -0.9683 M SDI 1 4 20.4334 -0.9683 20.4334 -15.4067 M SAL 2 8 130 131 132 133 134 135 136 137 M SPA 2 1 130 M SMT 2 8 M SDI 2 4 21.7390 -8.6442 21.7390 -7.1058 M SDI 2 4 23.7297 -7.1058 23.7297 -8.6442 M ENDChemical Structures, InChI InChI=1S/5C88H100Cl2N10O28.8ClH/c5*1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39;;;;;;;;/h5*15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121);8*1H/t5*51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+;;;;;;;;/m11111......../s1 Chemical Structure, InChI Key ALCMRBLIJBFSAZ-XERKAGHASA-N Moiety (mixture component) Name Quantity Undefined not 0 Moiety Characteristics Chemical Structure, MOLFILE -FDASRS-06211411022D 658710 0 0 1 0 0 0 0 0999 V2000 8.3857 -7.7541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6481 -3.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1857 -3.0624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0106 -8.1166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5440 -3.6957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0606 -9.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2565 -9.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8189 -8.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2773 -3.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0606 -8.1041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6940 -7.7374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8023 -8.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -7.7457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8940 -12.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4315 -7.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2607 -10.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 -7.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 -10.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 -8.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2523 -12.8708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2898 -2.4416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6273 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5565 -2.4416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1773 -5.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 -9.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2190 -7.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2523 -13.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1732 -7.7416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5898 -8.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5481 -5.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3273 -8.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2731 -8.1166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8023 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 -12.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2607 -11.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1773 -4.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1732 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8856 -13.9666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9148 -5.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4231 -9.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 -13.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9565 -7.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3857 -6.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6273 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8940 -11.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9481 -10.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2731 -8.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3814 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4357 -5.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2064 -10.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4481 -3.0624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0189 -6.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -9.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4231 -10.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6856 -10.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8481 -9.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8481 -8.0916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5481 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 -5.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8023 -6.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0481 -10.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6315 -11.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2064 -9.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6856 -9.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6523 -5.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0189 -5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2606 -10.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8190 -2.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9981 -10.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 -8.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4315 -7.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 -7.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 -8.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8356 -10.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2190 -7.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9981 -11.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3273 -8.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9565 -6.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8982 -9.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6523 -6.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4773 -9.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7440 -2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4481 -10.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 -6.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0648 -5.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8190 -1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8982 -9.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4773 -10.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6190 -12.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4734 -9.5946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1940 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6606 -1.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6148 -13.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7898 -9.1291 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.4815 -7.7249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8856 -14.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3273 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6523 -4.3291 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7481 -6.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7440 -3.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7815 -10.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 -9.4347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2606 -11.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1523 -13.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8356 -11.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3606 -11.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6940 -5.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0648 -6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6898 -6.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3273 -5.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1553 -9.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1523 -14.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1856 -3.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 -10.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 -10.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1148 -8.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1338 -8.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4497 -9.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5565 -2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -2.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9231 -3.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0315 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6606 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 -3.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4982 -2.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6648 -2.5416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4815 -6.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 -7.2271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 -7.2271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 -7.2271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 -7.2271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 -7.2271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 -7.2271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 -7.2271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 -7.2271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3857 -7.7541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6481 -3.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1857 -3.0624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0106 -8.1166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5440 -3.6957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0606 -9.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2565 -9.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8189 -8.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2773 -3.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0606 -8.1041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6940 -7.7374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8023 -8.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -7.7457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8940 -12.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4315 -7.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2607 -10.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 -7.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 -10.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 -8.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2523 -12.8708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2898 -2.4416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6273 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5565 -2.4416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1773 -5.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 -9.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2190 -7.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2523 -13.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1732 -7.7416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5898 -8.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5481 -5.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3273 -8.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2731 -8.1166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8023 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 -12.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2607 -11.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1773 -4.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1732 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8856 -13.9666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9148 -5.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4231 -9.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 -13.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9565 -7.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3857 -6.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6273 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8940 -11.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9481 -10.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2731 -8.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3814 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4357 -5.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2064 -10.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4481 -3.0624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0189 -6.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -9.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4231 -10.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6856 -10.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8481 -9.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8481 -8.0916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5481 -6.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 -5.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8023 -6.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0481 -10.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6315 -11.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2064 -9.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6856 -9.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6523 -5.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0189 -5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2606 -10.2916 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1 0 0 0 0 439502 1 6 0 0 0 503472 1 0 0 0 0 504474 1 0 0 0 0 505483 1 0 0 0 0 506483 2 0 0 0 0 507506 1 0 0 0 0 508505 2 0 0 0 0 509512 1 0 0 0 0 510502 1 0 0 0 0 511466 1 0 0 0 0 512488 1 0 0 0 0 513509 1 0 0 0 0 514493 1 0 0 0 0 515500 1 0 0 0 0 516500 1 0 0 0 0 517519 1 0 0 0 0 518511 1 0 0 0 0 519520 1 0 0 0 0 520522 1 0 0 0 0 521518 1 0 0 0 0 522523 1 0 0 0 0 523524 1 0 0 0 0 524521 1 0 0 0 0 525517 1 0 0 0 0 526517 1 0 0 0 0 401527 1 1 0 0 0 463457 2 0 0 0 0 420442 1 0 0 0 0 485465 1 0 0 0 0 433460 2 0 0 0 0 456428 2 0 0 0 0 422431 2 0 0 0 0 439436 1 0 0 0 0 459452 2 0 0 0 0 508495 1 0 0 0 0 495507 2 0 0 0 0 400419 1 0 0 0 0 461454 2 0 0 0 0 479486 2 0 0 0 0 493528 1 0 0 0 0 530537 1 0 0 0 0 531533 1 0 0 0 0 529532 1 6 0 0 0 533564 1 1 0 0 0 534538 1 0 0 0 0 535536 1 0 0 0 0 536529 1 0 0 0 0 537533 1 0 0 0 0 538543 1 0 0 0 0 538539 1 1 0 0 0 556540 1 1 0 0 0 541560 1 0 0 0 0 542573 1 1 0 0 0 543540 1 0 0 0 0 544546 2 0 0 0 0 545532 1 0 0 0 0 546553 1 0 0 0 0 547541 1 0 0 0 0 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0 607575 1 0 0 0 0 608580 1 0 0 0 0 609584 1 0 0 0 0 610576 2 0 0 0 0 611581 2 0 0 0 0 612608 2 0 0 0 0 613577 1 0 0 0 0 614596 2 0 0 0 0 615607 2 0 0 0 0 616602 1 0 0 0 0 548617 1 6 0 0 0 618581 1 0 0 0 0 551619 1 1 0 0 0 549620 1 6 0 0 0 555621 1 6 0 0 0 622568 1 0 0 0 0 585623 1 6 0 0 0 566624 1 1 0 0 0 625606 1 0 0 0 0 626593 1 0 0 0 0 571627 1 6 0 0 0 628576 1 0 0 0 0 629582 1 0 0 0 0 630643 1 0 0 0 0 631595 1 0 0 0 0 569632 1 6 0 0 0 633602 1 0 0 0 0 634604 1 0 0 0 0 635613 1 0 0 0 0 636613 2 0 0 0 0 637636 1 0 0 0 0 638635 2 0 0 0 0 639642 1 0 0 0 0 640632 1 0 0 0 0 641596 1 0 0 0 0 642618 1 0 0 0 0 643639 1 0 0 0 0 644623 1 0 0 0 0 645630 1 0 0 0 0 646630 1 0 0 0 0 647649 1 0 0 0 0 648641 1 0 0 0 0 649650 1 0 0 0 0 650652 1 0 0 0 0 651648 1 0 0 0 0 652653 1 0 0 0 0 653654 1 0 0 0 0 654651 1 0 0 0 0 655647 1 0 0 0 0 656647 1 0 0 0 0 531657 1 1 0 0 0 593587 2 0 0 0 0 550572 1 0 0 0 0 615595 1 0 0 0 0 563590 2 0 0 0 0 586558 2 0 0 0 0 552561 2 0 0 0 0 569566 1 0 0 0 0 589582 2 0 0 0 0 638625 1 0 0 0 0 625637 2 0 0 0 0 530549 1 0 0 0 0 591584 2 0 0 0 0 609616 2 0 0 0 0 623658 1 0 0 0 0 M STY 2 1 MUL 2 MUL M SLB 2 1 1 2 2 M SAL 1 8 16 17 18 19 20 21 22 23 M SAL 1 8 24 25 26 27 28 29 30 31 M SAL 1 8 32 33 34 35 36 37 38 39 M SAL 1 8 40 41 42 43 44 45 46 47 M SAL 1 8 48 49 50 51 52 53 54 55 M SAL 1 8 56 57 58 59 60 61 62 63 M SAL 1 8 64 65 66 67 68 69 70 71 M SAL 1 8 72 73 74 75 76 77 78 79 M SAL 1 8 80 81 82 83 84 85 86 87 M SAL 1 8 88 89 90 91 92 93 94 95 M SAL 1 8 96 97 98 99 100 101 102 103 M SAL 1 8 104 105 106 107 108 109 110 111 M SAL 1 8 112 113 114 115 116 117 118 119 M SAL 1 8 120 121 122 123 124 125 126 127 M SAL 1 8 128 129 130 139 140 141 142 143 M SAL 1 8 144 145 146 147 148 149 150 151 M SAL 1 8 152 153 154 155 156 157 158 159 M SAL 1 8 160 161 162 163 164 165 166 167 M SAL 1 8 168 169 170 171 172 173 174 175 M SAL 1 8 176 177 178 179 180 181 182 183 M SAL 1 8 184 185 186 187 188 189 190 191 M SAL 1 8 192 193 194 195 196 197 198 199 M SAL 1 8 200 201 202 203 204 205 206 207 M SAL 1 8 208 209 210 211 212 213 214 215 M SAL 1 8 216 217 218 219 220 221 222 223 M SAL 1 8 224 225 226 227 228 229 230 231 M SAL 1 8 232 233 234 235 236 237 238 239 M SAL 1 8 240 241 242 243 244 245 246 247 M SAL 1 8 248 249 250 251 252 253 254 255 M SAL 1 8 256 257 258 259 260 261 262 263 M SAL 1 8 264 265 266 267 268 269 270 271 M SAL 1 8 272 273 274 275 276 277 278 279 M SAL 1 8 280 281 282 283 284 285 286 287 M SAL 1 8 288 289 290 291 292 293 294 295 M SAL 1 8 296 297 298 299 300 301 302 303 M SAL 1 8 304 305 306 307 308 309 310 311 M SAL 1 8 312 313 314 315 316 317 318 319 M SAL 1 8 320 321 322 323 324 325 326 327 M SAL 1 8 328 329 330 331 332 333 334 335 M SAL 1 8 336 337 338 339 340 341 342 343 M SAL 1 8 344 345 346 347 348 349 350 351 M SAL 1 8 352 353 354 355 356 357 358 359 M SAL 1 8 360 361 362 363 364 365 366 367 M SAL 1 8 368 369 370 371 372 373 374 375 M SAL 1 8 376 377 378 379 380 381 382 383 M SAL 1 8 384 385 386 387 388 389 390 391 M SAL 1 8 392 393 394 395 396 397 398 399 M SAL 1 8 400 401 402 403 404 405 406 407 M SAL 1 8 408 409 410 411 412 413 414 415 M SAL 1 8 416 417 418 419 420 421 422 423 M SAL 1 8 424 425 426 427 428 429 430 431 M SAL 1 8 432 433 434 435 436 437 438 439 M SAL 1 8 440 441 442 443 444 445 446 447 M SAL 1 8 448 449 450 451 452 453 454 455 M SAL 1 8 456 457 458 459 460 461 462 463 M SAL 1 8 464 465 466 467 468 469 470 471 M SAL 1 8 472 473 474 475 476 477 478 479 M SAL 1 8 480 481 482 483 484 485 486 487 M SAL 1 8 488 489 490 491 492 493 494 495 M SAL 1 8 496 497 498 499 500 501 502 503 M SAL 1 8 504 505 506 507 508 509 510 511 M SAL 1 8 512 513 514 515 516 517 518 519 M SAL 1 8 520 521 522 523 524 525 526 527 M SAL 1 8 528 529 530 531 532 533 534 535 M SAL 1 8 536 537 538 539 540 541 542 543 M SAL 1 8 544 545 546 547 548 549 550 551 M SAL 1 8 552 553 554 555 556 557 558 559 M SAL 1 8 560 561 562 563 564 565 566 567 M SAL 1 8 568 569 570 571 572 573 574 575 M SAL 1 8 576 577 578 579 580 581 582 583 M SAL 1 8 584 585 586 587 588 589 590 591 M SAL 1 8 592 593 594 595 596 597 598 599 M SAL 1 8 600 601 602 603 604 605 606 607 M SAL 1 8 608 609 610 611 612 613 614 615 M SAL 1 8 616 617 618 619 620 621 622 623 M SAL 1 8 624 625 626 627 628 629 630 631 M SAL 1 8 632 633 634 635 636 637 638 639 M SAL 1 8 640 641 642 643 644 645 646 647 M SAL 1 8 648 649 650 651 652 653 654 655 M SAL 1 3 656 657 658 M SPA 1 8 1 2 3 4 5 6 7 8 M SPA 1 8 9 10 11 12 13 14 15 16 M SPA 1 8 17 18 19 20 21 22 23 24 M SPA 1 8 25 26 27 28 29 30 31 32 M SPA 1 8 33 34 35 36 37 38 39 40 M SPA 1 8 41 42 43 44 45 46 47 48 M SPA 1 8 49 50 51 52 53 54 55 56 M SPA 1 8 57 58 59 60 61 62 63 64 M SPA 1 8 65 66 67 68 69 70 71 72 M SPA 1 8 73 74 75 76 77 78 79 80 M SPA 1 8 81 82 83 84 85 86 87 88 M SPA 1 8 89 90 91 92 93 94 95 96 M SPA 1 8 97 98 99 100 101 102 103 104 M SPA 1 8 105 106 107 108 109 110 111 112 M SPA 1 8 113 114 115 116 117 118 119 120 M SPA 1 8 121 122 123 124 125 126 127 128 M SPA 1 2 129 130 M SMT 1 5 M SDI 1 4 1.0978 -15.4692 1.0978 -1.0308 M SDI 1 4 20.4647 -1.0308 20.4647 -15.4692 M SAL 2 8 131 132 133 134 135 136 137 138 M SPA 2 1 131 M SMT 2 8 M SDI 2 4 21.7703 -7.9963 21.7703 -6.4579 M SDI 2 4 23.7610 -6.4579 23.7610 -7.9963 M ENDChemical Structures, InChI InChI=1S/5C89H102Cl2N10O28.8ClH/c5*1-39(2)14-11-9-7-8-10-12-15-62(107)94-70-74(110)76(112)79(87(121)122)129-88(70)128-78-59-32-44-33-60(78)125-56-25-20-43(30-51(56)90)72(108)69-85(119)98-67(81(115)92-26-13-27-100(3)4)49-34-45(103)35-58(126-89-77(113)75(111)73(109)61(38-102)127-89)63(49)48-29-41(18-23-53(48)104)65(82(116)99-69)95-83(117)66(44)96-84(118)68-50-36-47(37-55(106)64(50)91)124-57-31-42(19-24-54(57)105)71(101(5)6)86(120)93-52(80(114)97-68)28-40-16-21-46(123-59)22-17-40;;;;;;;;/h5*16-25,29-37,39,52,61,65-77,79,88-89,102-106,108-113H,7-15,26-28,38H2,1-6H3,(H,92,115)(H,93,120)(H,94,107)(H,95,117)(H,96,118)(H,97,114)(H,98,119)(H,99,116)(H,121,122);8*1H/t5*52-,61-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74-,75+,76+,77+,79+,88-,89+;;;;;;;;/m11111......../s1 Chemical Structure, InChI Key FATPOJKTNNJYCL-UTJFGVATSA-N Molecular Bond Types Product Information Product Type INDEXING - SUBSTANCE Item Code (Source) 33WDQ7T81E CloseLabeler - Food and Drug Administration (927645523)