70257409 -OEChem-03282409053D 32 32 0 0 0 0 0 0 0999 V2000 1.1354 0.5377 1.4029 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3224 -1.2075 -0.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 0.7347 -1.2863 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 -1.9170 0.7971 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6563 -1.5215 -1.2898 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4956 1.9903 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0904 0.7237 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1956 -0.1978 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9405 -0.3703 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7508 2.1627 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6008 1.0686 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4008 3.1726 0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0823 -1.3382 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -2.7349 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9962 -0.3318 0.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9022 -0.4754 -0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -1.0524 1.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0757 0.7563 -2.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6263 -1.3485 1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 3.1425 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5734 1.2215 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7612 3.2407 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2588 3.0997 -0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 4.1110 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3636 -3.2202 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5606 -2.6876 -0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 -3.3217 -0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0712 -1.0288 2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2787 1.7778 -3.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0775 0.4673 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8369 0.0917 -3.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6121 -1.9169 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 5 16 2 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 3 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 M END > 70257409 > 0.6 > 1 263 257 206 253 172 64 267 120 242 131 190 121 237 189 259 239 228 180 208 201 271 207 258 212 210 234 195 181 71 192 219 226 166 230 153 214 260 205 171 168 254 164 154 236 269 218 33 209 117 255 149 203 213 184 187 118 132 183 77 14 148 125 163 162 151 268 262 249 176 274 79 40 233 204 196 122 246 83 102 142 159 243 146 67 178 270 36 215 165 26 127 273 95 59 160 111 250 261 54 216 256 161 202 126 231 145 45 61 75 107 156 177 74 32 114 60 241 193 147 18 197 63 96 275 78 30 185 119 227 28 170 134 65 123 199 235 105 43 217 101 169 82 211 194 116 167 52 222 97 47 137 91 53 200 143 174 19 84 16 94 130 152 265 264 179 42 41 128 92 186 220 182 62 173 110 108 39 247 56 68 51 109 244 248 140 225 133 150 158 13 141 86 93 5 251 113 69 58 272 221 22 3 89 245 57 240 198 266 72 100 129 252 27 46 55 224 20 70 50 76 223 48 138 104 90 31 112 11 15 155 98 88 232 238 81 139 87 10 229 135 136 106 35 7 85 144 21 115 29 66 191 73 8 44 80 6 34 124 103 12 23 188 38 9 37 25 17 175 99 4 24 157 2 49 > 23 1 -0.16 10 -0.15 11 -0.15 12 0.14 13 0.42 14 0.06 15 0.09 16 0.71 17 -0.07 18 0.28 19 0.15 2 -0.57 20 0.15 21 0.15 28 0.15 3 -0.43 32 0.45 4 -0.53 5 -0.57 6 -0.14 7 0.08 8 0.09 9 -0.15 > 5 > 5 1 1 acceptor 1 2 acceptor 1 4 donor 1 5 acceptor 6 6 7 8 9 10 11 rings > 18 > 0 > 0 > 0 > 1 > 0 > 1 > 21 > 04300B0100000001 > 57.379 > 25.373 > 11140007 195 16915409713024079715 11578080 2 17316159672213842148 11582403 64 15609543692746565344 12202030 40 17345769490010154902 12532896 13 17266376882131697561 12553582 1 18341904029889832831 14115302 16 18262232201627990829 14142880 1 11349787959856460290 14817 1 13489008971305443444 15207287 21 17557395735634702292 15852999 172 17767954346957749310 16945 1 18124318194455152616 18186145 218 14345796037354640201 20600515 1 18202279199708826305 20645476 183 17532089389427403505 20645477 70 17839177760322617375 21524375 3 7853586711740431073 21731516 1 18337401521052033659 22112679 90 18189068498824162736 22721475 48 18272934963977306995 232386 152 18411411808764516802 23402539 116 17982707715553320309 23419403 2 17755538876701095508 23557571 272 18343584014742224312 23559900 14 18053646007402876570 23598288 3 18117293470879570889 23598291 2 17749962037507294750 2748010 2 18265032804237236409 568465 68 17203030946342849178 576247 118 17345218686224473909 6992083 37 17609216753992098096 7364860 26 17983858071272984985 81228 2 17843689867705311977 > 341.08 5.52 2.86 1.59 1.52 0.87 1.02 -3.93 0.17 0.87 -0.25 -1.86 0.16 -0.7 > 710.832 > 194.6 > 2 5 10 $$$$