68510566 -OEChem-04262416543D 75 79 0 1 0 0 0 0 0999 V2000 0.3711 6.7556 0.5080 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9002 4.2980 -0.6593 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9936 -0.6546 0.4248 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4801 1.7625 1.7414 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1642 -3.9622 1.1555 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9784 -1.4411 1.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1034 -0.9682 -1.5932 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0509 -0.4732 1.9209 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0545 -1.0459 -2.6569 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 -2.0152 -1.4076 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3412 0.3734 -1.4563 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 1.7964 -0.2366 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9192 -1.0682 -2.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -0.6815 0.5108 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0633 -2.2707 -1.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 0.2350 -2.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1093 -2.0043 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 -2.3217 -2.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8029 0.1188 -3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5553 -2.7687 1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0434 -0.7655 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3246 -1.6768 2.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3698 -1.0941 -2.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 0.7674 2.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -0.8866 -1.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5974 0.8438 3.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -1.8684 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 0.4847 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -0.5999 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4112 -2.9782 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2265 -0.4583 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5056 -2.8457 0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -1.5845 1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0213 2.9745 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6172 4.2166 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6855 2.9020 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7003 -4.5747 2.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8773 5.3859 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 4.0711 0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2624 -1.2909 1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 5.3132 0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 -1.2298 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9311 0.1701 0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -2.2359 -0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6266 -3.1995 -2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 1.0595 -2.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 0.5157 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0018 -2.6110 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1793 -1.8193 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1615 -3.1811 -2.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 -2.4889 -3.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0344 -0.0317 -4.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2381 1.0562 -3.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6013 -3.2391 1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2315 -3.5498 2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4927 -1.9007 3.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2275 -1.4969 3.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4951 -2.1367 -2.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 -0.7614 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3224 -0.4694 -3.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5425 0.5509 4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 0.1965 4.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3723 1.8723 4.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1061 -3.9738 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 0.5156 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7653 1.9608 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 1.9474 0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3283 -5.4461 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -3.8802 3.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6643 -4.9089 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 6.3465 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0939 3.9993 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2916 -0.3882 0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5090 -2.1694 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0058 -1.1940 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 35 1 0 0 0 0 3 21 2 0 0 0 0 4 24 2 0 0 0 0 5 32 1 0 0 0 0 5 37 1 0 0 0 0 6 33 1 0 0 0 0 6 40 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 8 24 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 25 1 0 0 0 0 10 25 2 0 0 0 0 10 27 1 0 0 0 0 11 25 1 0 0 0 0 11 28 2 0 0 0 0 12 28 1 0 0 0 0 12 34 1 0 0 0 0 12 66 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 21 1 0 0 0 0 14 43 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 20 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 26 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 29 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 64 1 0 0 0 0 31 33 1 0 0 0 0 31 65 1 0 0 0 0 32 33 2 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 38 1 0 0 0 0 36 39 2 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 41 2 0 0 0 0 38 71 1 0 0 0 0 39 41 1 0 0 0 0 39 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 M END > 68510566 > 1.2 > 3 121 96 22 42 30 129 103 106 131 104 9 97 25 57 63 110 78 14 117 100 54 36 132 93 134 74 127 126 55 58 34 94 49 91 130 31 39 71 123 28 120 75 43 35 119 109 38 115 23 65 107 52 116 99 13 112 51 40 11 24 17 122 81 5 69 26 90 53 72 88 61 21 77 108 86 114 80 111 133 98 37 89 92 12 95 44 47 73 87 29 19 67 62 27 10 102 124 125 56 60 48 68 32 84 83 46 105 118 82 101 79 76 50 33 85 113 4 128 1 8 64 41 70 18 16 2 6 59 20 7 45 15 66 > 42 1 -0.18 10 -0.62 11 -0.62 12 -0.6 13 0.3 14 0.36 18 0.37 19 0.37 2 -0.19 21 0.57 22 0.3 23 0.3 24 0.57 25 0.72 26 0.06 27 0.31 28 0.41 3 -0.57 30 -0.15 31 -0.15 32 0.08 33 0.08 34 0.1 35 0.19 36 -0.15 37 0.28 38 -0.15 39 -0.15 4 -0.57 40 0.28 41 0.18 5 -0.36 6 -0.36 64 0.15 65 0.15 66 0.4 67 0.15 7 -0.66 71 0.15 72 0.15 8 -0.66 9 -0.84 > 11.2 > 11 1 12 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 4 9 10 11 25 cation 5 8 14 17 20 22 rings 6 10 11 25 27 28 29 rings 6 27 29 30 31 32 33 rings 6 34 35 36 38 39 41 rings 6 9 13 15 16 18 19 rings > 41 > 1 > 0 > 0 > 0 > 0 > 1 > 3 > 0415636600000003 > 160.9974 > 55.86 > 10049733 135 18267025135763579888 10074138 170 18192424178241998549 10319926 262 18267029345222634262 10439779 11 15314066259230991180 10653451 467 18200873964400156929 11059845 2 17758671149622197642 11377469 6 17895492396101937694 12128747 34 17911516494124228390 12422481 6 17846216691253920810 12655387 17 18333729105635487105 12788726 201 18117869696492410871 131258 38 17752764907675189130 14705955 166 18337952294926586954 14950920 106 18189032241290421058 15347590 135 18117563040734646012 16067689 391 15261735180075327604 16067690 210 18266716036011154816 16708801 149 13612795671696792714 19315092 285 17386281112226934004 19319366 153 17684937190930731092 21639891 77 18334012766571612821 21814621 53 16081379600608073717 22889206 1 17687190098328383282 376196 1 17194036692193599765 3886686 26 17612873699438598131 4366758 6 17610893496693723949 4394409 98 17682387053782629229 508706 21 18057315090410493940 6677587 24 12294814338765425856 9981440 41 17841976815619562479 > 784.99 14.66 7.67 3.34 3.3 15.72 0.21 -15.31 11.97 -8.83 2.27 4.68 -2.27 3.54 > 1685.649 > 437 > 2 5 10 $$$$