53245630 -OEChem-05052421163D 60 63 0 0 0 0 0 0 0999 V2000 1.4635 0.8386 -2.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4634 3.3138 1.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7878 -3.3135 0.5217 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3786 1.9782 -0.9044 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9427 -0.0438 -0.9402 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9168 2.0810 -0.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7482 0.8243 1.0056 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4359 -2.1554 -0.2716 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6462 0.0821 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4824 1.2259 1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 3.1147 -1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0653 0.9481 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5829 2.3020 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1413 -1.2489 -1.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 2.7241 -0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -0.9188 0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 1.3714 2.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 -2.4244 -1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 2.4512 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3302 2.6342 -1.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 -0.7759 1.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0246 0.3692 2.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 1.9983 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2148 2.0885 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6587 2.2713 -1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6967 -3.6990 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0668 0.3472 1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4859 1.6191 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3849 -1.0030 0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4247 -2.1010 1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9806 -4.7660 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 -3.2176 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9924 -4.5292 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9419 -4.3865 0.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.2916 -2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1811 4.0682 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 -1.4535 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 -1.0767 -2.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 -1.8363 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 2.2589 2.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 2.5302 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0002 2.8425 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 -1.5615 2.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 0.4822 3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 1.9174 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3321 2.2022 -2.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4693 -3.8713 -2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8089 1.0865 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1077 0.2803 2.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4106 -1.2949 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3611 -0.9249 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9848 0.5000 1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3944 -1.8467 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4805 -2.2323 2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -5.7802 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0009 -2.9793 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 -5.3455 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9033 -4.1756 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0203 -4.5649 1.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2645 -5.2884 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 13 2 0 0 0 0 3 30 1 0 0 0 0 3 34 1 0 0 0 0 4 28 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 52 1 0 0 0 0 8 18 1 0 0 0 0 8 32 2 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 39 1 0 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 18 26 2 0 0 0 0 19 24 1 0 0 0 0 19 41 1 0 0 0 0 20 25 2 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 31 1 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M END > 53245630 > 1 > 1 228 44 187 166 121 213 55 83 107 191 155 209 53 173 189 49 185 9 211 103 80 160 5 164 158 98 34 159 207 197 218 216 84 108 161 196 230 70 170 176 26 227 104 175 79 231 201 167 208 168 150 134 205 178 122 165 120 95 171 180 116 112 119 27 204 152 203 87 45 199 174 99 149 25 222 188 105 128 17 194 92 67 224 202 192 31 51 23 195 156 223 82 133 151 63 154 190 163 214 221 215 90 124 220 56 18 37 81 193 229 68 172 4 93 141 40 153 138 186 127 48 91 226 200 89 58 3 15 102 69 136 198 22 97 184 212 225 32 72 109 12 10 135 110 177 126 217 130 182 143 131 75 43 111 113 21 65 47 115 132 144 129 46 6 60 219 57 183 117 35 86 146 100 85 39 139 142 181 76 36 62 2 74 38 140 114 42 52 145 73 148 14 29 106 30 206 77 50 78 64 179 24 20 33 28 7 11 54 61 41 16 88 13 96 66 157 125 137 162 19 59 8 169 123 101 210 94 118 71 147 > 46 1 -0.57 10 0.09 11 0.44 12 0.69 13 0.54 14 0.44 15 -0.14 16 -0.15 17 -0.15 18 0.17 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 0.09 24 -0.15 25 -0.15 26 -0.15 27 0.3 28 0.54 3 -0.56 30 0.28 31 -0.15 32 0.16 33 -0.15 34 0.28 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 5 -0.48 52 0.37 55 0.15 56 0.15 57 0.15 6 -0.42 7 -0.73 8 -0.62 9 0.12 > 10 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 7 donor 1 8 acceptor 6 15 19 20 23 24 25 rings 6 5 6 9 10 12 13 rings 6 8 18 26 31 32 33 rings 6 9 10 16 17 21 22 rings > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 032C76BE00000001 > 90.0736 > 50.774 > 10794284 68 17756994772547824000 10864689 126 17975135340871788519 11443803 9 17896623815880155460 12422481 6 18412542141441612611 13561361 72 18409167735850549179 14040221 275 18198315486899742586 14950920 106 17630336237989782761 17909252 39 17908711631092320110 19611394 137 17547557190396607218 1979834 28 18412266112256618833 20764821 26 18192999433593266711 20775530 9 17688321083418338983 21315759 227 18189895327299520773 23572383 38 18336821992772801909 238918 7 18338507565367635274 24941158 1 16772975621833830710 25222932 49 17895463804641628728 392239 28 17774703321249504296 437795 96 18408884045282760175 44426695 316 17412209889648804595 463206 1 18122074095913364063 50080093 196 18194681695185493739 50742298 180 17899698152891175843 613672 6 18263073328203023277 6176135 31 18411707608232841075 86090 222 18339367365964071810 > 656.3 13.45 6.34 2.19 19.93 7.7 0.2 5.02 8.38 1.83 -1.47 -2.33 -0.45 3.89 > 1415.97 > 357 > 2 5 10 $$$$