53364504 -OEChem-05102405593D 49 53 0 0 0 0 0 0 0999 V2000 5.5016 4.2446 0.9081 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 0.0436 0.2342 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 -3.3008 -0.9117 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0314 -2.3831 -0.4834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8503 -0.5802 -0.3389 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 -1.8627 -0.1309 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 -1.2996 -0.0657 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3948 1.5761 -0.8633 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4348 -1.5301 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 0.0596 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 -2.5451 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 -1.0017 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0471 0.1298 -0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 -2.2203 -0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0964 0.0120 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 0.9665 -1.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2682 0.7635 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3589 1.6616 -1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 -0.8264 1.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3501 -1.4102 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8798 -0.0874 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3103 0.6460 1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 0.7194 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -0.9247 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5406 2.5732 -2.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2132 -0.1875 2.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1754 0.3856 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9462 2.0613 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3532 1.7427 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2473 2.5743 0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9753 -0.9783 -2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3033 -2.0698 -1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1732 0.6262 1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2326 0.7645 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 -3.1621 -1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9194 -3.2142 -0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 -1.6587 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9944 -0.5754 1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3751 1.0812 -2.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 -1.4184 1.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2274 1.2131 0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9773 -1.5742 3.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4612 2.0126 -3.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5251 3.0521 -2.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7816 3.3618 -2.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0433 -0.2583 2.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0220 -0.2587 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0852 2.6900 0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3614 2.1506 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 7 1 0 0 0 0 2 23 1 0 0 0 0 3 14 2 0 0 0 0 4 20 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 8 17 1 0 0 0 0 8 18 2 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 17 22 2 0 0 0 0 18 25 1 0 0 0 0 19 24 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 23 2 0 0 0 0 21 27 1 0 0 0 0 22 26 1 0 0 0 0 22 41 1 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 M END > 53364504 > 0.8 > 3 103 58 91 7 33 39 31 84 96 10 38 18 101 102 57 106 71 75 107 5 83 63 46 59 48 51 108 94 68 76 95 97 13 54 23 90 69 66 82 49 36 72 79 105 100 35 87 12 17 6 20 78 67 30 73 34 43 44 81 52 53 60 89 27 64 62 99 42 86 16 14 37 15 32 22 92 40 26 19 21 93 50 85 41 8 74 56 80 1 98 104 88 70 47 2 61 9 77 25 29 65 28 55 11 4 45 24 > 37 1 -0.18 10 0.37 11 0.3 12 0.3 13 0.1 14 0.69 16 -0.15 17 0.31 18 0.17 19 -0.15 2 -0.12 20 0.54 21 0.09 22 -0.15 23 0.08 24 -0.15 25 0.14 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 0.18 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.84 6 -0.66 7 -0.08 8 -0.62 9 0.37 > 4.2 > 9 1 3 acceptor 1 4 acceptor 1 5 cation 1 8 acceptor 5 2 7 20 21 23 rings 6 15 17 19 22 24 26 rings 6 21 23 27 28 29 30 rings 6 5 6 9 10 11 12 rings 6 8 13 15 16 17 18 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 032E471800000003 > 108.0026 > 45.812 > 10 15 18113620109783793984 10010297 198 16771014029208804315 10319926 262 17313662655136023050 10369192 42 18337397152843817092 10411042 1 17838062499287864918 10930396 42 17458899462006933857 117089 54 8356889293818241856 12236239 1 16988843835321934811 12403259 415 18261114049773513526 12422481 6 17895184532988454652 12616971 3 17632577110905655935 12664476 115 18261114062658662204 12730499 353 18336553737605682234 12788726 201 16486707882569331818 13583140 156 18188489052202278215 13782708 43 18041285348516884819 13885169 86 18200037364367240000 13947920 75 15482678969772834386 14251764 75 18129386058802274280 14739800 52 17605536787216053897 14840074 17 17775569723891176193 14856354 85 16988846129420092183 15081414 286 18411985767299775852 15131766 46 18060415842086855505 15183329 4 17561081410343687956 15274700 21 17840309148807670787 15475509 35 16950837008843515378 15530120 55 14691436442394310808 1768 85 18412546539082136520 18470217 77 17603583024458892205 19315092 285 13912605000056135644 19377110 9 15140678072797702081 19958102 18 12247415449032448433 20691028 202 18060140972110346409 21033648 144 18412259566657875150 21033648 29 18113333089767011781 21623969 137 18410017636562945960 22122407 14 18129668478904230249 23559900 14 17387701492229800743 23569914 2 17464488201484773060 2747138 104 17604163596583429555 2838139 119 18337376211010237972 3178227 256 18410295771110641962 3610482 184 16702027504058716253 397830 11 18335432300090719835 4258327 124 18060413617625780885 44062 13 12679453197444382485 497634 4 17917422164650695687 5104073 3 17822569391807072161 5364581 5 17896609564366594545 57724786 102 18131076999799869238 6034566 193 17846500361497093927 6608658 132 15984830281681488609 6697151 62 17758092827311723046 > 581.72 18.3 3.47 1.87 3.9 1.14 -0.19 11.54 5.27 5.36 -0.91 -4.57 0.69 4.18 > 1284.283 > 313.8 > 2 5 10 $$$$