5724963 -OEChem-04232414443D 41 43 0 0 0 0 0 0 0999 V2000 -5.9910 -2.0667 -0.8335 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7885 2.9206 -0.2824 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7831 -0.6716 1.4909 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 -1.8107 3.0427 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1683 -1.0623 -1.9443 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 0.2202 0.2925 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4131 -2.8441 -0.5871 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5487 3.2866 0.1053 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3684 3.2773 0.3612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6466 -1.4948 0.3068 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9963 -1.4918 -0.1195 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4517 2.6791 0.1530 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6826 -2.0546 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4422 -1.0532 -0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7274 -0.5432 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 -0.9566 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 -1.3794 1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2291 -0.7987 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6981 -0.0516 -0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9954 0.4694 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2285 0.5749 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4054 -1.4933 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4357 1.2718 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0842 -0.3877 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 1.8110 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 -0.7963 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6277 0.5862 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3111 0.1050 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3399 2.3037 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4388 1.4507 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 -2.8220 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 -2.5172 -0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5712 -0.0106 -2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 -2.4973 -0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3324 1.1454 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5489 -1.3177 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5868 1.0960 -0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1781 -0.5455 0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4575 3.3496 0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3941 1.8344 0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3277 -3.1398 -0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 17 2 0 0 0 0 5 14 2 0 0 0 0 6 16 2 0 0 0 0 7 22 1 0 0 0 0 7 41 1 0 0 0 0 8 12 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 34 1 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 19 2 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 2 0 0 0 0 26 27 2 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 28 30 2 0 0 0 0 28 38 1 0 0 0 0 29 30 1 0 0 0 0 29 39 1 0 0 0 0 30 40 1 0 0 0 0 M CHG 2 8 -1 12 1 M END > 5724963 > 0.8 > 2 21 18 15 23 13 17 8 5 9 22 4 19 12 20 11 6 10 3 16 14 7 1 > 39 1 -0.18 10 -0.42 11 -0.55 12 0.91 13 0.36 14 0.62 15 0.12 16 0.57 17 0.58 18 0.12 19 -0.18 2 -0.18 20 0.03 21 -0.15 22 0.08 23 0.13 24 0.18 25 0.18 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.24 30 -0.15 33 0.15 34 0.37 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.38 40 0.15 41 0.45 5 -0.57 6 -0.57 7 -0.53 8 -0.52 9 -0.52 > 6.4 > 11 1 11 donor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 donor 1 8 acceptor 1 8 anion 1 9 acceptor 5 3 10 14 15 17 rings 6 18 21 22 23 26 27 rings 6 20 24 25 28 29 30 rings > 30 > 0 > 0 > 1 > 0 > 0 > 1 > 10 > 00575B2300000002 > 84.9081 > 55.908 > 10 15 14418142811124253327 10074138 170 16081658897398172963 10673678 19 18202004356451848806 11456790 92 17895751786804620106 11524674 6 13118008794824429105 13533116 47 17604141515898741154 13726171 33 18054793884763491609 14394314 77 18410860924156049577 14556957 393 16845586300237770137 14739800 52 17968650511116142841 14849402 71 18335144232212856029 14933364 13 18413108338390192647 15183329 4 16559031579927711035 15198563 99 14907909223793577083 15357212 105 16734979940953389900 15419008 145 18189322491038590560 15510800 12 11887660828098566861 15840311 113 18410295779262480093 16994733 274 18410289195114389209 19611394 137 18188783876480190363 20157964 124 18342740715568504774 20281389 69 18333731286471116397 20511986 3 17703781562110633662 20721686 56 18335704970637680929 21033648 29 17968096486626962538 21424621 283 18113900442362579075 21641784 216 16128385847791706187 22122407 14 18341059553303977720 22224240 67 17167584873844930763 23198884 109 18410575059563532547 23516275 100 18263076772799333276 2747138 104 17676499332756602585 2838139 119 18410291376525024485 3383291 50 17458915941532744139 34797466 226 18201725011947891047 4073 2 18260551177214328458 4098825 35 18342174466526130259 44317340 157 18060697307966676922 44555599 121 18200882785497734728 504579 68 17417820560726067588 5265222 85 18059571447111036687 5385378 56 17241044297468014626 5758199 1 17748830679293345275 58902169 19 17988917868937905956 59682541 35 17894641344849195857 59755656 520 17894629245246470851 > 584.53 21.96 3.22 1.4 4.76 2.4 0.97 10.88 -3.44 2.47 0.45 -0.78 -1.08 0.48 > 1226.912 > 332.7 > 2 5 10 $$$$