46864058 -OEChem-10101915543D 45 46 0 0 0 0 0 0 0999 V2000 -0.6243 1.4277 -1.4645 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3077 2.7463 0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3336 -2.7403 0.5601 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2070 -2.8142 -1.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 0.4077 -0.5297 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 -1.2027 1.1284 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5271 -2.2341 -0.2570 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7119 -0.3110 -1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 0.7643 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0403 -1.5582 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1563 -0.4831 1.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2545 1.5978 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4853 1.2117 -2.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6114 -2.3936 1.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 0.5352 -2.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5038 0.8642 -0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8447 1.5283 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 -0.3826 -0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9593 -0.9653 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7429 0.9455 1.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3004 -0.3013 1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 3.3577 2.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4961 -0.6440 -2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5974 0.3374 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 1.4848 0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.2390 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -1.1331 1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 -0.1659 2.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9278 -2.0357 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -2.2777 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1628 2.1531 -1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 2.2951 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0764 0.5722 -3.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 2.1340 -3.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8504 -2.1186 2.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 -2.9022 1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 -3.1076 1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3701 0.3133 -3.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3692 -0.4091 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8284 -0.8892 -1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 1.4028 2.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9968 -0.7257 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7811 3.5790 2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3974 2.7654 2.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1855 4.3175 2.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 M CHG 2 3 -1 7 1 M END > 46864058 > 0.8 > 2 160 158 38 24 226 230 193 111 118 235 224 198 3 30 159 169 151 252 144 244 12 84 196 33 228 27 238 115 91 248 89 19 126 34 44 127 232 83 231 109 219 186 170 243 150 155 71 32 40 177 233 176 97 205 1 138 137 69 156 146 64 49 251 129 102 57 80 36 75 145 22 99 254 96 139 136 72 93 236 47 253 43 31 78 90 26 135 204 104 28 239 203 221 61 201 67 240 188 133 59 21 101 16 187 141 14 237 87 66 190 174 76 202 112 183 123 110 73 167 152 246 162 149 142 52 213 92 125 58 157 65 45 242 181 147 214 11 106 245 13 20 180 178 132 35 48 234 41 209 210 192 206 6 10 39 184 98 42 164 7 128 4 216 77 29 171 117 53 165 107 86 212 113 9 134 124 23 222 63 179 163 189 120 122 208 241 56 114 143 105 74 229 218 15 108 121 88 217 153 95 100 223 249 182 148 220 60 103 255 62 168 207 172 116 79 51 211 81 250 17 140 70 85 173 194 46 185 50 225 195 55 82 18 8 154 5 175 161 227 166 94 119 54 191 130 37 247 215 68 131 200 25 199 197 > 24 1 -0.36 10 0.27 11 0.27 12 0.27 14 0.27 15 0.28 16 0.08 17 0.08 18 -0.15 19 0.13 2 -0.36 20 -0.15 21 -0.15 22 0.28 3 -0.52 4 -0.52 40 0.15 41 0.15 42 0.15 5 -0.81 6 -0.81 7 0.91 8 0.27 9 0.27 > 8.2 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 anion 1 4 acceptor 1 5 cation 1 6 cation 6 16 17 18 19 20 21 rings 6 5 6 8 9 10 11 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 02CB16BA00000002 > 68.2551 > 45.759 > 10165383 225 15050350005937231236 10928967 22 17750802030533162586 10968037 57 17968936375375551026 11552529 35 18341041922552813626 11578080 2 18190443051990153533 11582403 64 16839371646038623237 12539773 59 18116430349787800041 12549972 3 16699230183078811236 12596599 1 18262237699376046706 12633257 1 17988653968825081873 12824470 246 18262242230434499973 12892183 10 18059566963290974158 13083527 12 16985178278640482685 13103583 49 18195809575081562474 13383661 66 16239056323503954330 13583140 156 17274529933013863986 13726171 33 17415874407844729784 14081887 123 17846513512586649271 14178342 30 18269839705474693326 14251757 17 16299220379830499627 14251764 38 9150015336124020726 14429115 67 18334853978275135951 14787075 74 17835524095509406308 15119646 57 8068888796515064758 15295992 7 15696054495595336357 15475509 35 17614295785318442011 17357779 13 16515402958769577060 17780758 139 18196920098953043402 20291156 8 17894351068629745116 20645477 70 16661213696511865500 20693207 138 14201979954674505249 21304303 282 17840291234963302621 21315759 148 18131350770676473854 21315764 21 10882779621854240232 21475661 188 14187642233233944707 21650355 55 18130798871188283561 21713013 43 13407661900124884832 23366157 5 17549832522435586513 23503958 8 18341335492067720026 235170 7 12974474127339160498 23557571 272 17632031753454939529 23559900 14 17701571500167048861 23598288 3 18190199926665210697 238 59 16226329338766842314 49207404 50 16056611979219537239 621550 5 15478227068709640733 90316 7 18131083648947619169 9981440 41 16484704473462326445 > 414.33 8.91 3.19 2.39 5.41 0.51 0.32 7.28 -3.41 -2.77 -0.97 0.9 -0.94 -2.91 > 849.648 > 240.7 > 2 5 10 $$$$