10756719 -OEChem-04262406353D 45 46 0 0 0 0 0 0 0999 V2000 1.8649 -2.4949 -0.4834 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 2.7120 0.6588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5659 -1.5127 0.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0506 -0.9549 0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2597 3.2098 -0.1284 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5213 -2.7258 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4011 -1.7457 1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -2.2264 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 -0.6517 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8864 -0.4965 -0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4477 0.6632 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5588 0.8425 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 -0.4729 -0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8012 -1.2979 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9593 0.8843 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6753 1.5145 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 1.9689 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8111 1.4072 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2487 -1.0620 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1266 1.6585 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4099 -0.2893 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 1.0696 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1282 -2.9121 1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0877 -3.6903 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8335 -0.8280 1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -2.1856 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1822 -2.9877 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8244 -2.1328 -1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4223 -2.3299 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 -0.3835 -1.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6688 -1.2353 -1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6118 -1.0530 0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2049 1.1109 -1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2159 0.7251 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 2.1147 -1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9162 1.7261 0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9054 1.4964 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7019 0.9203 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8157 2.4149 0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3231 -2.1202 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1051 2.7207 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3617 -0.7478 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2532 1.6710 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 3.9616 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8446 3.4758 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 16 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 32 1 0 0 0 0 5 17 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 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 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END > 10756719 > 0.8 > 3 147 50 58 55 192 1 52 19 75 11 155 236 98 201 79 71 213 173 59 68 83 111 224 119 203 228 188 156 24 222 39 80 216 117 184 88 211 139 163 72 125 195 64 204 108 178 220 164 17 172 226 210 25 77 219 74 132 99 121 9 209 87 60 61 4 48 53 205 186 217 28 206 242 221 187 169 133 14 110 200 122 174 159 239 148 152 233 101 103 90 238 140 73 66 176 116 43 49 150 185 136 160 118 154 45 194 65 20 54 26 196 180 120 182 2 94 106 40 38 114 6 151 92 93 127 35 128 190 124 146 218 197 223 70 149 212 165 130 7 13 5 231 21 105 230 175 23 104 91 240 234 100 134 153 46 51 63 113 208 170 225 62 15 32 31 33 12 27 168 82 229 96 227 36 126 214 47 69 138 157 142 181 57 177 10 8 129 237 37 84 76 67 145 41 166 78 86 115 29 56 161 183 143 171 158 42 89 123 167 198 179 202 235 109 241 199 131 189 81 207 162 30 215 193 85 191 44 34 144 16 137 135 141 232 112 18 97 102 95 107 22 > 28 1 -0.57 10 0.27 11 -0.12 13 0.09 14 0.47 15 0.09 16 0.47 17 0.27 18 0.14 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 29 0.4 3 -0.87 32 0.36 4 -0.9 40 0.15 41 0.15 42 0.15 43 0.15 44 0.36 45 0.36 5 -0.99 7 0.37 8 0.27 9 0.11 > 8 > 10 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 1 4 cation 1 4 donor 1 5 cation 1 5 donor 6 13 15 19 20 21 22 rings 6 9 11 13 14 15 16 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 16 > 00A4226F00000003 > 40.5048 > 50.767 > 12403259 226 17765998681266682035 12788726 201 17702382845433042737 13140716 1 18342465794938364728 13402501 40 18409165524105473845 13464514 151 18335417963394835987 13944108 23 17473253276970457029 14251757 17 18411981352014853827 14251764 75 17980201877832312529 14573314 32 18336264638565746383 14790565 3 18192717975928430236 14931854 50 18340756054336541933 15183329 4 18411134727792531567 15196674 1 18340209690918770898 1601671 61 18409727378678639268 17349148 13 15410624725814743119 17959699 21 18407761438723828902 18608769 82 18335424608526764579 200 152 17704079528923315963 21033648 144 17913493720509079138 21279426 13 18410858724514582982 21421861 104 17532639162321369722 221357 26 18342731971093958095 22289505 5 18342458162370068310 22393880 68 18270958054612979119 23402655 69 18413386523295308495 23559900 14 18341609369115610440 23569914 152 17339295411211837756 2748010 2 18342747321412568892 445580 125 18341055142499178033 5283173 99 18410011035377585881 543358 83 18410011013929214106 > 426.07 12.74 3.16 0.91 5.67 0.47 -0.07 4.9 4.01 3.19 -0.42 0.37 -0.16 1.06 > 885.091 > 242.6 > 2 5 10 $$$$