53362019 -OEChem-03282414423D 45 47 0 0 0 0 0 0 0999 V2000 -3.5833 -2.9495 -0.2868 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 0.5627 1.4090 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 1.5283 2.7643 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3616 1.8402 -0.5454 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 -0.5440 -0.7194 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 0.9244 -2.1509 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5617 0.0343 -0.1003 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3279 -0.7521 0.1546 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 0.9691 -0.0382 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0147 1.2829 0.0439 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5577 0.4303 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 -0.1277 1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7003 -0.5894 -1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3283 -1.1473 1.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4155 -1.7267 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2585 0.5832 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2984 1.7513 -0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9523 0.9056 -0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4572 1.1676 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2152 0.4656 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2799 0.0519 -0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5614 -0.3972 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7879 -1.7288 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5618 0.5549 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0152 -2.1084 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7892 0.1753 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0158 -1.1563 0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 0.4863 -2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.4268 -0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5672 0.8321 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4401 -0.4840 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3181 -1.5494 -1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4433 -0.2309 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7961 -1.2012 2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 -2.1431 0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1812 -1.4045 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0649 -2.7221 -0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -1.8110 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7793 1.9203 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2781 2.2168 -1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 2.5048 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2528 0.0260 -2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2086 -3.1417 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5679 0.9166 0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9713 -1.4517 1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 19 2 0 0 0 0 4 24 1 0 0 0 0 5 16 2 0 0 0 0 6 18 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 39 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END > 53362019 > 0.8 > 1 50 64 14 27 60 40 43 26 52 54 39 15 51 57 56 24 41 59 55 3 21 42 30 33 5 65 25 4 12 58 32 31 44 22 23 38 63 2 62 28 17 16 45 19 13 46 34 6 11 61 8 10 37 7 36 53 29 48 35 47 49 20 9 18 > 32 1 -0.18 10 -0.42 11 0.27 12 0.27 13 0.27 14 0.27 15 0.27 16 0.57 17 0.36 18 0.62 19 0.58 2 -0.24 20 0.12 21 -0.18 22 0.03 23 0.18 24 0.19 25 -0.15 26 -0.15 27 -0.15 3 -0.38 39 0.37 4 -0.19 42 0.15 43 0.15 44 0.15 45 0.15 5 -0.57 6 -0.57 7 -0.55 8 -0.81 9 -0.42 > 6.6 > 8 1 3 acceptor 1 5 acceptor 1 6 acceptor 1 8 cation 1 9 donor 5 2 10 18 19 20 rings 6 22 23 24 25 26 27 rings 6 7 8 11 12 13 14 rings > 27 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 032E3D6300000001 > 54.5335 > 40.597 > 10 15 16630521843841771736 10299344 5 18040156214424853630 10591671 39 11602539814615198355 106641 1 14117795838978790439 10670039 82 13840254871337354886 10674148 151 17894909624805716737 11297750 10 14187088083711327884 11456790 92 17632029641270086323 11524674 6 17846497054246150135 11646440 116 17203894067386790480 117089 54 17244719102111043003 11991303 11 13118292493924357976 12166972 35 18334016124729590412 13540713 4 15911663224281945812 13540713 5 15070280655318623597 13668630 136 18335139761752709110 13673619 4 18408882957880438053 13685833 64 18409448098583353460 13782708 43 18269833280414588951 13911987 19 13840258204764654441 14251752 14 18334574637986497781 14251757 52 10952045650743893718 14420673 8 18408605894357379635 14767858 380 15647048265875920096 15183329 4 15502371227674723520 15188451 53 18201721735124811640 15198563 99 15140949626257996543 15348495 7 17632007679841323419 15352257 5 18334575741798861318 15419008 91 18267845273224312672 15961568 22 9151184159701670611 17980427 23 12967128350310048273 18643901 69 18041282093194775446 19841028 212 18189331265868098058 2026 5 18410854374103933439 20691028 202 11095295544891660834 21150785 3 13767927918699588754 21792934 111 16630526215433125593 22224240 67 13973964298542610748 23035841 295 18409731767945493615 23198884 109 17240485823234057057 23516275 137 17970080949594995771 23522609 53 17750824093347717300 23559900 14 18270395139483442057 23569943 247 17241596239293078041 23576562 1 12613335216574996867 3004659 81 18261112997807147852 3383291 50 17632580470082278567 397830 11 17844798377194081834 4107672 100 17749665199923534517 465052 167 18411700994056616412 5104073 3 16055744537670526531 5265222 85 18266468783096261031 5381727 24 18202847665782409139 559249 180 18408603669632521895 6009941 240 18271807865859316121 999808 66 17603877736524614291 > 526.28 22.12 2.09 1.6 23.1 0.87 -0.42 13.22 -1.75 -1.62 -0.57 0.65 -0.7 0.42 > 1080.37 > 307.9 > 2 5 10 $$$$