6132 -OEChem-10221913373D 40 41 0 1 0 0 0 0 0999 V2000 -3.1507 0.9273 0.8617 P 0 0 2 0 0 0 0 0 0 0 0 0 -3.9672 -1.3244 -0.8463 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1234 1.4816 1.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 3.9203 -0.2294 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 1.8903 -1.7215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 1.5731 1.0562 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5655 -0.5355 0.1657 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -0.3257 -0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 1.9932 -0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8571 0.5753 2.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6174 -2.1233 0.3993 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 -2.4273 -1.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9502 -0.6514 -1.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2659 -0.3837 0.2858 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 -2.4978 0.1804 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 -4.5046 0.1939 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 2.9478 -0.7389 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0581 1.6606 -1.0597 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4134 2.5203 0.4007 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2429 1.0509 0.3192 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9143 1.9466 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0622 -1.0701 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4785 -1.1146 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9892 -2.3994 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2812 -3.1296 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8139 3.3904 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 1.0304 -1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 3.3286 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 1.4125 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 1.0790 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4639 2.7103 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6306 3.5873 0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7322 1.0318 -1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 -0.5084 0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -2.9411 0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 2.7950 0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 -5.0237 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 -5.0438 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3606 -2.7411 0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -3.1116 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 5 18 1 0 0 0 0 5 33 1 0 0 0 0 6 21 1 0 0 0 0 7 23 2 0 0 0 0 9 36 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 23 1 0 0 0 0 15 25 2 0 0 0 0 16 25 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 24 25 1 0 0 0 0 24 35 1 0 0 0 0 M END > 6132 > 0.8 > 1 199 118 72 60 113 262 183 246 109 210 190 141 154 87 260 156 39 127 32 192 49 170 125 172 46 61 241 163 65 222 235 151 207 37 164 193 48 182 174 234 99 152 135 91 27 11 89 142 76 114 212 45 147 263 83 112 242 97 247 140 237 30 138 10 251 128 71 149 233 96 188 220 217 40 228 155 78 9 51 66 239 165 261 187 54 206 100 250 43 29 240 230 232 85 171 177 107 158 215 216 115 225 236 33 25 94 245 81 44 191 167 35 131 211 123 203 196 137 121 180 18 248 129 36 197 57 227 218 200 14 124 117 52 86 64 243 226 47 202 22 106 12 93 119 145 6 101 105 82 254 195 98 70 53 209 31 28 139 79 134 181 122 130 194 68 80 214 231 150 213 56 162 189 257 173 15 221 153 146 38 42 126 16 69 17 102 104 168 110 63 95 136 256 84 50 252 59 244 144 55 161 67 103 5 111 176 26 219 7 116 224 223 92 75 179 34 159 143 148 58 169 258 160 201 185 13 77 238 8 90 41 184 73 205 175 2 20 62 253 23 24 178 108 19 132 259 229 255 3 186 166 249 74 120 208 198 88 157 133 21 4 204 > 34 1 1.51 10 -0.7 11 -0.77 12 -0.77 13 -0.7 14 -0.47 15 -0.66 16 -0.85 17 0.28 18 0.28 19 0.28 2 1.51 20 0.58 21 0.28 22 -0.04 23 0.84 24 -0.14 25 0.49 3 -0.56 32 0.4 33 0.4 34 0.15 35 0.15 36 0.5 37 0.4 38 0.4 39 0.5 4 -0.68 40 0.5 5 -0.68 6 -0.55 7 -0.57 8 -0.54 9 -0.77 > 7 > 16 1 10 acceptor 1 11 acceptor 1 12 acceptor 1 13 acceptor 1 15 donor 1 16 donor 1 3 acceptor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 7 acceptor 1 9 acceptor 4 2 11 12 13 anion 5 3 17 18 19 20 rings 6 14 15 22 23 24 25 rings > 25 > 4 > 0 > 0 > 0 > 0 > 1 > 3 > 000017F400000001 > 11.933 > 81.309 > 108634 29 17116351222123974558 11069576 57 18199446900916670119 12553582 1 18337115548996748026 12596599 1 17988092079813010655 12788726 201 17560533884524922129 13004483 165 17758391872872105824 13257819 101 15214445523966397788 14117953 113 17621596108423051221 14251757 17 17826480346509614895 14790565 3 18337116786644109660 15537594 2 18268167382337205051 20645477 70 18187359986877879041 20775530 9 18266739069541104211 21634736 98 18412825819393641558 235170 7 17605539154291303279 23559900 14 18337657685981654019 238 59 18190183575281070299 46194498 28 17749382681158780389 463206 1 18336831883554879531 > 442.68 8.69 4.84 1.28 8.29 1.48 -0.11 3.88 -1.08 -3.67 -0.45 1.19 -0.25 -1.94 > 891.896 > 261.2 > 2 5 10 $$$$