69850592 -OEChem-04182417063D 41 43 0 0 0 0 0 0 0999 V2000 2.9005 -1.5028 0.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 1.2377 1.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4965 -0.5609 -0.0763 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1759 0.6086 0.8945 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6116 -0.7560 -0.8650 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 -1.5615 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 -2.0245 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 -1.2717 0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -0.0592 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -0.7982 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 -2.0545 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9262 -0.2522 1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4892 -1.8176 -0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 -0.0155 1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3921 0.5517 -1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3095 0.4093 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7221 0.4327 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 1.9370 -1.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 1.9537 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4578 2.6588 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4733 1.6017 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3324 -0.7091 -0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7930 1.5932 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3105 0.3995 -0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5215 -1.8936 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7027 -2.0274 -0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6173 -3.1194 -0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2521 -1.6849 -1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3285 -2.8761 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4742 0.3604 1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0301 -2.4395 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 0.7911 1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -0.0203 -2.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9102 -1.1568 -0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6362 2.4532 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 2.4699 1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5456 3.7392 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0471 2.5289 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8344 -1.6718 -0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3972 2.4927 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3345 0.3401 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 16 2 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 3 34 1 0 0 0 0 4 9 1 0 0 0 0 4 19 2 0 0 0 0 5 22 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 15 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 14 2 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END > 69850592 > 0.8 > 1 148 54 43 153 240 93 8 88 164 229 210 234 215 159 190 39 178 60 116 126 127 11 208 205 149 191 28 212 6 101 168 187 162 57 66 19 95 202 142 242 34 237 248 252 2 172 137 103 165 217 25 73 104 198 15 188 151 97 146 189 244 121 79 30 182 199 49 108 14 133 239 99 135 55 228 96 74 139 63 249 59 173 115 47 183 160 195 77 243 31 89 35 233 184 44 144 227 155 214 110 71 50 68 46 119 86 29 76 98 192 166 194 42 64 200 225 7 209 245 3 9 147 85 154 118 20 51 36 5 193 72 26 131 220 18 117 78 21 186 22 158 128 196 124 48 70 91 65 122 4 143 83 16 206 67 58 53 152 114 107 123 52 102 33 27 12 213 81 80 171 136 201 32 250 100 238 179 17 41 38 207 138 87 185 130 204 241 111 132 37 176 90 120 129 24 125 169 113 251 105 56 156 112 231 235 23 141 197 175 223 40 92 247 170 106 94 82 10 203 13 224 145 174 219 75 221 232 157 161 109 181 177 62 45 236 226 216 84 167 69 150 180 218 163 222 230 61 246 211 134 140 > 37 1 -0.36 10 0.12 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 0.54 17 0.09 18 -0.15 19 0.16 2 -0.57 20 -0.15 21 -0.15 22 0.16 23 -0.15 24 0.16 29 0.15 3 -0.55 30 0.15 31 0.15 32 0.15 33 0.15 34 0.37 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.62 40 0.15 41 0.15 5 -0.62 6 0.14 7 0.28 8 0.08 9 0.17 > 7 > 8 1 1 acceptor 1 2 acceptor 1 3 donor 1 4 acceptor 1 5 acceptor 6 4 9 15 18 19 20 rings 6 5 17 21 22 23 24 rings 6 8 10 11 12 13 14 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 0429D5E000000001 > 78.23 > 40.598 > 10 15 13118294667494099015 10638233 991 18131356301876790513 10673678 19 18341898519362175366 10906281 52 18059587841253867139 11408170 253 17914338970823155809 117089 54 7924263354120297328 11761917 116 17701525445845092695 11991303 11 17274814796704104303 125118 31 18041278777464348045 12821665 9 18338234989884791743 13617811 41 16128373761817375793 13685833 64 11527947846333223518 13782708 43 11887666282680294409 13878862 14 18261379036861138900 14347332 77 11600015331480907051 14347424 109 10953458544354253126 14429380 56 18261100877240517117 14528608 73 18342460335338663850 14931854 50 18059027167696805688 15183329 4 17917717893737969368 15352257 5 12319732574943634037 15475509 35 9727636068919924932 155225 6 17606132912088272748 15961568 22 18187081741658942861 18335252 114 18410013209358856366 1979834 28 13551183382250250824 20157964 124 18408888425763845046 20554085 129 15791725304953037817 20567600 234 17168148957110256751 20715895 44 18410575119872325344 21049683 118 17896025685343359794 21130935 74 8358250458683550085 21150785 3 17346595291962136651 21298829 104 18335707178055978284 21344244 181 13326855547567100676 21344244 78 18046606942784132042 21641784 216 17417820495510729473 21792934 111 13118266054891276503 2303208 19 13183020696501723867 23522609 53 17631192839178807001 23559900 14 18201987855662063137 23569943 247 12319194875161040413 249057 25 18130511812543007842 249057 3 18341615881046115086 25122255 55 12607395628981066941 255183 451 17911525299192787718 2838139 119 18333446534461005460 3004659 81 18201439121929714794 328310 630 18411987932121431657 33382 64 11095884852325550222 33532 11 11095876069555559381 3472631 163 18340773740710731628 34797466 226 18130795542229849055 3680242 22 8286200573679245664 397830 11 17241064196193388929 4072396 5 13118001089067426794 4073 2 18260269659836623251 44555599 121 18269280049877525329 445580 167 18340479054583475535 465052 167 8718831990093235936 57091435 61 18333449863625129760 59682541 52 17203615861049114188 6328613 192 18411698790437693351 6898599 12 18198062675648496046 > 467.23 20.48 2.41 1.18 16.77 0.45 0.03 11.05 5.99 -3.28 0.29 -0.85 0.29 -0.77 > 1007.957 > 252.5 > 2 5 10 $$$$