69756496 -OEChem-04192406053D 48 51 0 0 0 0 0 0 0999 V2000 -6.1303 -2.3399 1.4544 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5185 -1.1083 2.0798 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0285 -0.6302 1.0303 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 1.7123 0.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7577 -1.7539 0.1517 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9141 0.3816 0.3859 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 3.7919 -0.6959 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9067 2.6002 -0.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8704 -4.0714 -1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 -4.1960 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -2.7673 -1.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 -2.9408 0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -1.5672 -0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 0.4679 0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9324 0.4121 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 1.6353 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2026 1.5312 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8545 2.7157 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 2.7439 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1868 1.5411 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -0.1453 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 3.6758 -0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9143 2.1705 1.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9313 -0.8934 0.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5659 0.0808 -1.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1486 -1.4156 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7831 -0.4414 -1.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5745 -1.1897 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9324 -4.0946 -0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -4.9261 -1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 -5.0732 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9715 -4.3592 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5602 -2.8204 -2.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2687 -2.6387 -2.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 -3.0433 1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1478 -2.8530 1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6935 -1.4294 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3724 -0.6791 -1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 -0.5056 0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7767 3.6493 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5938 -0.0261 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7252 4.5460 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0018 2.1710 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 1.5026 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5847 3.1907 1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9616 0.6478 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1134 -0.2683 -2.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5203 -1.5909 -1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 24 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 4 16 1 0 0 0 0 4 23 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 41 1 0 0 0 0 7 18 1 0 0 0 0 7 22 2 0 0 0 0 8 20 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 19 40 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END > 69756496 > 0.8 > 1 28 45 59 107 145 126 103 93 25 49 74 80 147 70 29 55 119 95 76 102 129 90 58 121 98 35 88 137 142 17 60 109 23 19 155 10 34 51 123 79 36 148 131 4 99 22 38 18 64 141 5 104 152 85 43 41 46 53 106 47 146 135 122 48 118 112 140 27 100 61 94 114 67 84 52 12 124 138 56 125 127 21 134 15 150 33 96 20 42 153 120 14 31 151 77 136 71 139 113 3 13 40 63 68 132 65 117 144 66 115 9 32 8 86 111 50 108 78 91 30 44 149 89 143 26 154 130 2 83 54 87 128 110 69 11 82 72 92 116 97 73 101 105 57 16 133 62 7 24 39 81 75 6 37 > 31 1 -0.18 12 0.27 13 0.27 14 0.08 15 -0.15 16 0.08 18 0.31 19 -0.15 2 -0.19 20 0.41 21 0.1 22 0.47 23 0.28 24 0.19 25 -0.15 26 0.18 27 -0.15 28 -0.15 3 0.02 39 0.15 4 -0.36 40 0.15 41 0.4 42 0.15 46 0.15 47 0.15 48 0.15 5 -0.64 6 -0.6 7 -0.62 8 -0.62 > 6.2 > 8 1 4 acceptor 1 6 donor 3 6 8 20 cation 3 7 8 22 cation 6 14 15 16 17 18 19 rings 6 21 24 25 26 27 28 rings 6 5 9 10 11 12 13 rings 6 7 8 17 18 20 22 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0428665000000001 > 91.784 > 40.769 > 102385 1 18268147544585612312 10906281 52 18114471170470930296 10928967 22 18129387003379400287 11421498 54 17917720136106563488 114674 6 18408325505712009226 11963148 33 18190168161145508010 12107183 9 17984438347398688105 12422481 6 17702673138288685663 12596602 18 16987721375583351473 12623949 98 18131083627045424238 13140716 1 17907573984191297968 13533116 47 18130790088149170115 13583140 156 14979381842937726323 1361 2 18339361984813674619 13690498 29 18123482587435829766 13785724 45 18339378378935399643 13911987 19 18044949114602533324 14068700 686 18409720790447753308 14863182 85 18337676437909394228 14866123 147 17978227154710618601 15081414 286 18337676415964792809 17492 89 18339918212609936446 17909252 39 18411705344557962538 19301679 30 18411422813235445177 1979834 28 18340767173204803568 20028762 73 17982449596629812566 20286276 3 18267585702342966968 20645477 70 18262234551143783457 20775438 99 17687138107770858804 20775530 9 18200312117487978110 21033650 10 16298943130874781141 21279426 13 18189323590644884765 21285901 2 17968362516173640781 21344244 181 17979383033542370780 21703447 108 18338221670900855122 221490 88 18339641119042874730 2260408 40 18270419281436142857 22849339 104 17546742447356690654 23559900 14 18052240814035713384 25222932 49 17823684463959502091 255183 313 17910924119771810000 345986 75 17775571918503017795 3737641 26 18342463629383524436 44062 13 17907861704018678582 46194498 28 17459469042962677069 5309563 4 18410016503172192623 59025328 239 17841390935289526197 59755656 215 18334850645781154912 613672 6 18336529565482059651 86090 222 18337120080535599986 9709674 26 18337101246718910776 > 539.16 12.3 5.4 1.51 12.87 1.18 -0.08 9.89 1.17 -6.61 -1.1 0.63 0.83 2.9 > 1162.521 > 297.1 > 2 5 10 $$$$