18996 -OEChem-10091916373D 42 43 0 1 0 0 0 0 0999 V2000 6.7496 -0.5022 1.2804 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 2.1364 -0.5915 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6866 -0.5352 -0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 -2.4925 0.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1275 0.0472 -0.1440 N 0 0 1 0 0 0 0 0 0 0 0 0 -5.4654 -0.5879 -0.1691 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5609 0.4793 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0403 1.0627 0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4890 1.5714 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0877 2.1597 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0465 -0.9271 0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6054 -1.6292 -1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -0.2390 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 -1.2310 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8151 -1.2889 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -0.4475 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1816 -0.8122 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 0.6740 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3215 -0.0209 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1062 1.4651 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2837 1.1178 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6483 -1.0956 0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5522 0.0114 -0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4642 0.9345 -1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0907 1.6012 0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1484 0.6021 1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7503 1.1520 1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2196 2.3576 0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8884 2.7180 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 2.8754 1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -1.4478 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -1.6870 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0122 -2.5267 -1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6464 -1.9591 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2985 -1.2188 -2.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5959 0.2798 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5229 0.5153 0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 -2.0031 -0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 -1.7086 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -1.6983 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0664 0.9585 -1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0602 2.3472 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 M END > 18996 > 1 > 53 386 21 497 554 905 607 710 384 19 183 96 116 969 276 860 788 322 30 628 31 598 342 243 202 239 1 405 277 91 385 623 270 572 840 458 451 620 734 382 102 146 375 10 387 279 605 566 13 379 544 175 413 17 512 207 80 130 84 499 36 454 797 429 543 603 250 247 897 335 394 47 907 230 94 343 882 565 338 389 352 624 812 12 910 481 16 237 577 192 109 324 900 5 880 957 618 124 479 78 717 108 40 29 691 612 307 638 442 318 280 914 83 74 105 41 817 434 311 46 935 449 381 27 339 545 920 367 122 216 297 464 75 866 55 69 2 410 284 828 737 203 275 408 645 470 573 698 295 370 140 28 551 695 286 963 189 608 970 44 501 823 452 234 129 26 332 97 886 22 896 242 373 305 4 341 462 54 436 439 143 181 60 304 241 344 594 3 206 708 98 888 261 371 123 23 210 831 32 535 18 45 587 783 265 282 642 158 72 104 494 39 480 48 197 11 504 103 724 117 14 9 86 211 205 > 19 1 -0.18 11 0.27 14 0.28 15 0.63 16 0.09 17 -0.15 18 -0.15 19 0.18 2 -0.18 20 -0.15 21 0.18 3 -0.43 4 -0.57 40 0.15 41 0.15 42 0.15 5 -0.81 6 0.27 8 0.27 > 7.2 > 4 1 4 acceptor 1 5 cation 6 16 17 18 19 20 21 rings 6 5 6 7 8 9 10 rings > 21 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 00004A3400000035 > 36.4438 > 20.297 > 10 15 17967823751476202281 10411042 1 17901378997554878618 10595046 47 18412543206815190727 10688039 33 16805318877625567892 11089746 13 18410571807603032074 11315181 36 18334012826816666359 12236239 1 18412824694080658950 13167372 99 18408604734309819984 13533116 47 16950835913299384690 13631057 29 18266175210009794339 13785724 45 17974845070029695434 14251764 18 18261390074948324420 14341114 176 16732702753403023988 14528608 73 18342459257175246055 15183329 4 18201723954995675905 15348495 7 15575008311369137265 15419008 145 18042394743433848224 15475509 35 15141222314870660232 1577012 14 18409731772250919500 19427546 20 18343578561088547199 20281389 69 18040996241361527380 20526848 3 18409173237840694924 21150785 3 15267333025151850505 22061861 79 15338846339058377085 23035841 295 8358261440703760285 23081809 10 18410289228862197278 23272321 79 18411420613906234121 2767999 5 18409446990149468749 2838139 119 18334011696586289221 300161 21 18411416177410973039 328310 630 18333736836112487413 3472631 163 18271813470875819428 34797466 226 16845297184566784909 397830 11 15213598860588306860 4073 2 18114468941129566474 4325135 7 18413386532270261127 445580 37 17989214741362166849 465052 167 8574710208883975592 5104073 3 17822293539216871690 54039377 194 9799427611700111096 543368 44 18411140243094964093 > 419.19 21.56 2.09 1.02 5.14 0.3 0.01 8.48 -1.01 0.17 0.03 -0.24 0.09 -2.82 > 842.967 > 247.7 > 2 5 10 $$$$