18354490 -OEChem-03282416243D 44 44 0 1 0 0 0 0 0999 V2000 -6.6564 2.0283 -0.0849 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -0.2123 0.4326 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 0.0994 -0.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6361 -3.2918 -1.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 1.0142 -0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3305 0.7137 0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5215 2.4552 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8454 0.9160 -1.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1941 -1.9427 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8504 -0.1236 2.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0564 -0.7293 0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -0.2261 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 -1.0437 0.2720 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7843 -0.2694 0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 -2.3023 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 0.6588 -0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7908 -0.4873 1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 1.3690 -0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9885 0.2229 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1795 1.1510 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4368 0.8028 1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 -0.2893 -0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0371 1.4240 -0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5787 2.5969 1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5074 2.7252 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2079 3.1794 -0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -0.0734 -2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8416 1.1190 -2.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5251 1.6463 -2.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5539 -2.6936 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1003 -2.0517 -1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 -2.1591 0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8731 -0.3434 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1886 -0.8538 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5786 0.8698 2.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 -0.6921 1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 -1.7670 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 -0.2039 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3636 0.8229 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3297 -1.2980 1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2194 0.8395 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.2087 1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 2.0865 -1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7642 0.0426 1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 4 15 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 M END > 18354490 > 0.8 > 1 45 100 18 114 166 70 143 55 46 87 167 75 72 84 51 118 177 56 170 157 28 15 129 132 94 26 107 126 42 164 17 140 65 48 73 81 67 158 130 90 78 50 80 113 4 71 10 60 98 29 162 147 133 111 57 52 74 127 109 165 54 23 38 34 36 37 159 61 160 174 41 122 119 30 96 151 35 97 138 21 49 146 13 163 106 27 93 121 68 128 117 66 131 33 79 176 2 141 120 92 178 116 53 101 149 85 82 9 63 40 19 134 135 86 16 58 148 175 144 76 124 14 25 154 103 47 173 125 20 110 8 88 22 168 62 6 153 169 5 112 3 155 171 89 64 99 69 11 7 39 161 44 95 91 137 145 104 32 150 115 24 139 83 77 108 102 12 172 142 152 59 156 31 43 123 105 136 > 20 1 -0.18 10 -0.08 11 0.28 13 0.34 14 -0.14 15 0.36 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 0.54 20 0.18 3 -0.58 4 -0.56 41 0.15 42 0.15 43 0.15 44 0.15 5 -0.08 9 -0.08 > 6 > 3 1 4 acceptor 4 5 6 7 8 hydrophobe 6 14 16 17 18 19 20 rings > 20 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0118113A00000001 > 40.2689 > 15.223 > 10014705 185 18340768233924490603 10366900 7 16773801394068791578 105312 117 18272933834216357287 10670039 82 18200887171108022392 11089746 13 16917344844930601738 12596602 18 17603308150287622929 12616971 3 17967806185360583322 13533116 47 17631731556721216326 13668630 136 9871752399214955760 13675066 3 18040437698049663882 13685833 64 9294994783383218653 14251764 18 17967538978455335425 14341114 176 17167866331140566581 14848160 23 10303810964725926024 15183329 4 14979958047329144969 17844677 252 17822295634786546860 17857418 61 11240005546649758356 1813 80 12107795064528422459 18222031 100 11530774673664618939 200 152 9871750182842551499 20281389 69 18260829293347109449 204376 136 18342457019903901895 20645477 56 18409445899185460767 21033648 29 18341884195520013257 21150785 3 13901903427824366040 23503953 91 18339348739186677258 23559900 14 17988648502080968846 268830 7 17749376122917590422 2838139 119 18335691716183898365 300161 21 18201716267346782370 312423 11 9295012409723506922 312425 54 15791735166134724105 314173 85 12107786285673018803 3472631 163 18412265068605952908 3545911 37 18410015450999416552 5104073 3 17894909637394882224 542803 24 17967253117799751904 59682541 52 15697721398283650189 59755656 520 17346612884813416939 633830 44 17821725048851109794 90127 26 17968103001348526306 960060 61 15985111825293545168 > 420.82 16.54 2.4 1.36 3.86 0.95 0.25 -10.31 0.61 0.52 -0.82 -1.03 0.08 -0.39 > 817.981 > 257.5 > 2 5 10 $$$$