1242618 -OEChem-04262408553D 39 41 0 0 0 0 0 0 0999 V2000 -1.2557 1.3224 1.0791 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1718 -0.3877 0.6661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 2.1939 1.3084 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6483 0.2611 -0.5759 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6387 0.5708 -1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9143 0.6720 -1.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1801 0.2645 -1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 -1.1359 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 -0.9916 0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2187 -0.0911 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 0.2346 0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7255 -0.1221 0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -2.0267 0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6363 1.2248 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 -2.4671 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 0.4555 0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8287 -0.5824 0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -1.8236 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2842 0.2733 -0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.0600 -0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2353 0.2458 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0127 0.0560 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3504 0.6339 -1.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3188 0.3957 0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2059 0.7639 -1.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1196 0.5574 1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0957 -1.1191 0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3995 -3.0152 -0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0455 -2.4785 -0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7256 -3.2540 0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -2.7350 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3301 1.4284 1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 -2.6443 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7136 -0.2807 1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4226 0.5828 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1162 -0.0619 -2.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0961 1.6595 -2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2287 0.3750 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 1.0986 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 23 1 0 0 0 0 5 19 2 0 0 0 0 6 21 1 0 0 0 0 6 25 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 13 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 18 33 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END > 1242618 > 0.8 > 1 182 56 218 132 245 246 236 23 258 96 259 215 260 179 139 196 217 240 181 257 247 100 188 256 155 126 142 249 115 234 206 89 242 167 244 252 224 116 250 163 176 201 138 150 237 262 141 152 187 113 49 33 189 184 248 210 229 261 99 170 231 144 157 147 108 158 207 214 111 235 105 264 107 222 123 44 134 101 69 233 109 200 133 198 243 183 203 124 208 145 205 84 263 94 228 169 185 186 104 255 211 149 204 42 82 120 162 221 40 72 168 80 136 223 77 172 164 135 202 146 61 118 156 160 125 241 216 97 227 130 27 159 197 92 153 129 20 95 68 85 194 90 190 71 51 154 93 29 225 226 28 238 73 230 65 13 251 128 174 7 191 165 140 161 98 67 119 25 14 195 239 166 253 81 74 37 10 87 102 148 58 199 15 5 232 209 88 47 75 32 63 52 17 26 122 54 46 254 121 175 64 220 76 173 193 59 79 36 143 180 60 70 131 31 91 50 86 62 110 178 66 18 4 35 213 212 34 38 192 19 78 103 106 39 53 137 43 112 171 117 16 48 83 177 219 3 55 24 151 8 114 30 12 127 11 22 21 41 6 2 45 57 9 > 31 1 -0.23 10 -0.12 11 0.08 12 0.2 13 -0.15 14 0.71 15 0.14 16 -0.15 17 0.08 18 -0.15 19 0.66 2 -0.23 20 0.81 21 0.05 22 -0.15 23 0.28 24 -0.15 25 -0.01 28 0.15 3 -0.57 32 0.15 33 0.15 34 0.15 38 0.15 39 0.15 4 -0.43 5 -0.57 6 -0.28 7 -0.57 8 -0.17 9 0.03 > 6 > 7 1 3 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 5 6 21 22 24 25 rings 6 1 8 9 10 11 14 rings 6 9 11 13 16 17 18 rings > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0012F5FA00000001 > 66.1251 > 35.554 > 10299344 5 13901910024471983452 10670039 82 18341335505127111256 11315181 36 18409174337067336824 12011746 2 18202279208646783731 12236239 1 17967533502055476602 12390115 104 17773612532821522601 12516196 113 14117800211208246058 12633257 1 11530773595670116547 13288520 33 14979955878908425289 13533116 47 18130793301090837638 13540713 4 17912351324202513371 13540713 5 17912645705550680219 13583140 156 17240773895011483689 13668630 136 14405191664219621836 13673619 4 14261627344338307411 13685833 64 13326853340069616110 13885169 127 14117525320505967043 13911987 19 18411129218045855871 13914758 101 17095799941093882576 13968360 50 18335979783714245210 14123256 10 18201719552717052469 14251764 18 11458435638608655738 14341114 176 11746938711483756494 14767858 380 18272083890337411677 14931854 50 18272930484289409549 15048467 5 17894346683194037063 15131766 46 16879929680045543340 15183329 4 18413394233204670906 15238133 3 14996290184273761207 1813 80 12607137235437868272 18335252 114 17967523580211407884 18335252 98 17968100828997576971 19489759 90 18272377481728068298 19958102 18 18342748377568777702 200 152 13830140464506400266 2026 5 16342316666427145958 20281389 69 17676487263692590796 20511986 3 18261104232158594290 21033648 29 15213300893617655268 21150785 3 16989122071555369334 21267235 1 17561360721611403663 21298829 104 18260551074272400029 21403212 168 11386361531413270693 21792961 116 18407761439367738755 22122407 14 16588319284116101100 22224240 67 13334735739156164785 23402539 116 18342459279161960870 23559900 14 18058724835725500880 23576562 1 18264199387440023789 25147074 1 18127974109462182979 2838139 119 17095517409871579725 300161 21 18259983790912786938 3009799 131 18272086110656239964 3103668 31 18054782056065310567 335352 9 18272087219506726281 34797466 226 16845575340261691928 351380 3 11095884848072683476 3633792 109 18115019689217646723 4093350 32 15719661070531589464 4325135 7 17275384309404358948 465052 167 11383828294380716787 484989 97 18196647613749532287 5104073 3 11098443437331769997 5207 217 18410855468971440547 5385378 56 13118270443652066960 59755656 215 18202845444055221910 59755656 520 15574711426038992531 6058803 2 17768530483104594979 8863177 126 12103260751468183797 999808 66 12679460915384452309 > 473.4 18.95 1.66 1.34 12.06 0.73 0.33 -7.32 7.99 -1.42 -0.17 -0.82 -0.53 -0.39 > 1033.509 > 256.3 > 2 5 10 $$$$