134813646 -OEChem-09272321133D 56 59 0 0 0 0 0 0 0999 V2000 -0.9149 -0.8971 -2.0332 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.8466 -3.5895 -0.1641 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1863 1.6107 2.3045 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.5640 2.7824 -1.2709 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.1871 2.8979 0.9037 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.2328 2.9039 0.1348 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4068 -1.9115 -0.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0668 0.9736 0.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -0.4712 0.1402 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3483 0.9997 0.5303 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -1.1601 1.9131 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5133 0.5248 -0.2198 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1304 1.2334 0.1405 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7027 0.5129 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 1.2914 -0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3982 -0.9818 -0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3011 0.9765 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -1.3007 0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 -0.9513 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 1.0290 0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1504 -1.1825 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3719 -1.6590 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4902 -1.6236 2.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5532 -1.8869 1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9197 0.3796 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5837 -1.2098 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4751 -0.7008 -1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7829 1.3111 0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 -1.8686 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5551 0.1825 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8574 -0.8150 -1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9536 -1.1352 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7258 0.9161 -0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9250 0.2572 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6338 0.1695 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9948 2.3924 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3666 0.6887 -1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0733 1.0364 -1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 2.3704 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 -1.5471 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1015 -1.3399 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 1.4765 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 1.3817 1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6073 -1.1324 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 -2.3649 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 1.3181 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0263 -0.0673 -0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5795 -1.7868 3.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4853 -2.2678 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8421 -1.4595 -1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4398 2.2152 0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6324 0.7132 -0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3124 -1.6486 -1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8934 -1.6398 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6241 1.9926 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7168 0.1263 -0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 29 1 0 0 0 0 3 20 2 0 0 0 0 4 36 1 0 0 0 0 5 36 1 0 0 0 0 6 36 1 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 8 34 1 0 0 0 0 8 36 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 10 46 1 0 0 0 0 11 19 2 0 0 0 0 11 23 1 0 0 0 0 12 20 1 0 0 0 0 12 25 1 0 0 0 0 12 47 1 0 0 0 0 13 28 1 0 0 0 0 13 35 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 52 1 0 0 0 0 31 35 1 0 0 0 0 31 53 1 0 0 0 0 32 34 2 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 35 56 1 0 0 0 0 M END > 134813646 > 1.2 > 1 47 51 143 87 145 83 118 99 107 139 85 96 95 126 88 49 116 120 39 74 113 69 124 77 94 44 37 115 46 141 133 48 122 100 43 26 101 105 50 106 53 138 129 81 102 36 128 72 71 148 45 109 125 134 142 66 104 130 76 89 52 112 35 97 54 15 131 70 114 144 63 123 135 75 117 80 58 16 84 147 59 136 32 60 82 57 137 25 98 146 65 10 23 41 121 21 140 55 56 90 150 110 29 67 132 62 78 6 19 93 22 86 64 12 33 149 18 108 79 61 14 111 34 31 24 73 13 127 30 91 42 68 11 92 17 38 9 103 3 8 27 28 5 119 20 40 4 7 2 > 45 1 -0.18 10 -0.73 11 -0.62 12 -0.55 13 -0.62 14 0.3 17 0.37 18 0.37 19 0.41 2 -0.18 20 0.5 21 0.18 22 0.08 23 0.16 24 -0.15 25 0.12 26 0.08 27 -0.15 28 0.16 29 0.18 3 -0.38 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 0.08 35 0.16 36 1.3 4 -0.34 46 0.37 47 0.37 48 0.15 49 0.15 5 -0.34 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 6 -0.34 7 -0.17 8 -0.36 9 -0.84 > 10.2 > 11 1 10 donor 1 12 donor 1 13 acceptor 1 3 acceptor 1 7 acceptor 1 8 acceptor 3 9 11 19 cation 6 11 19 21 22 23 24 rings 6 13 25 27 28 31 35 rings 6 26 29 30 32 33 34 rings 6 9 14 15 16 17 18 rings > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 080917CE00000001 > 134.611 > 55.865 > 10 15 14707201128358875066 10190206 1 17417536822164611537 10533779 1 18189893116494826141 10580692 12 18409448085587837831 106641 1 10881400941947780398 10674148 151 18259982695780574488 11061554 47 18336818771701109544 11181472 205 18335985294789522320 11409948 35 18199752454392898630 11410812 94 14907907016539316473 11421887 21 17987520291746309793 11497681 19 10591770873955256908 11828042 53 17772198509028869889 12013929 2 18343304752580947934 12082328 90 18339640147953648063 12089408 11 18040432222820747974 13726171 33 18122064201153597313 13740195 50 8142082044751693540 13914758 101 18342175583439212578 14017579 151 12679192613553031800 14040221 8 17703228399675491904 14294032 229 18114460046242058764 14400156 413 17274532248576881152 14918687 75 13262693560014663153 150020 25 17917990590028244128 15065858 18 18202564004345585054 15131766 46 17341517915703488624 15183329 4 17023175068144764242 15350500 16 13901905609588553464 15439362 3 18339642227145476591 15461852 350 18339927120788995526 15604295 49 18270675480293796648 1577012 14 18186511099149542699 16087824 20 18337954485471164717 19302320 297 17821733823290142509 20105231 36 14201114596833207800 21362267 313 18409443658525997866 21756936 100 18187082871904942547 21781055 127 17822020778897589910 21792961 116 17489873756475365275 22164985 6 16486970760258515431 23576562 1 16844424190295181517 24771293 8 17748543736464720167 249057 25 16271381815531630978 249057 3 16630245909525866622 2835820 33 8646763400823271412 3178227 256 15213021539679354013 3552219 110 14707212098106120742 3633792 109 17775008955728471910 395649 100 18272654545525835961 3991529 128 17167870741987675084 4173938 188 9223227434861550348 4339292 15 10807931544493043537 4353968 344 15554455067749845832 44280117 145 18267585891332292375 44802255 64 17775282773316590719 4516262 110 17968929792055784647 474113 269 17489592209058860158 4760202 170 17560793360664020344 57303763 176 18268433434930420152 58083652 198 15913325827854871466 59521270 166 18411138043998005454 5969126 39 14261360141342944579 6009941 240 18413390951412060231 6081469 158 17703793630989945248 6126387 218 18341612638244722070 6201320 215 18341889641422850617 6673363 416 18059851754769193905 6691757 9 16081368596258920187 6698420 124 17822013146434704568 9663363 56 13901915514289935955 9962374 69 12103839069126066714 > 689.99 35.33 2.79 1.49 43.77 0.66 0.67 17.28 -5.97 -8.46 0.24 0.93 -0.17 1.86 > 1457.613 > 391.4 > 2 5 10 $$$$