3202304 -OEChem-04262402073D 69 73 0 1 0 0 0 0 0999 V2000 -0.0001 1.6866 0.5978 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 0.2694 -1.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -5.9123 0.6155 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 1.8884 0.5187 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2413 -0.7490 -0.6829 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -0.4430 0.9189 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 0.7871 2.6698 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4441 2.9590 1.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 2.4069 2.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 3.8682 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9144 1.7369 3.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9767 3.1959 1.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0766 2.6649 2.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0922 1.3371 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2438 0.2617 -0.9152 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1502 0.8388 -2.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 -0.5175 -0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 -2.0939 -0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 -1.3048 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 0.2386 -3.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3715 1.9722 -2.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -3.2085 -0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8582 -2.2624 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 0.7714 -4.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 2.5049 -3.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1436 0.0274 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9784 1.9045 -4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5444 0.0377 2.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4325 -4.4915 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2998 -3.5457 0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 0.7924 1.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 -4.6603 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9734 -0.1455 -0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7489 1.4302 1.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2157 0.4963 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5984 1.2706 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2054 -6.0127 1.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 3.5577 1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4409 3.2324 3.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7597 1.6902 3.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5741 4.1816 0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5668 4.7798 1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9805 1.4360 4.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 0.8200 2.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7826 3.9173 1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1307 2.3744 0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 3.5077 3.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0249 2.1314 2.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 1.4983 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 -0.1553 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7244 -1.9482 -0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 -1.9272 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4511 -0.6461 -3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 2.4751 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -3.1191 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 -1.4214 0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2957 0.3035 -5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 3.3872 -4.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9113 2.3192 -5.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 -0.1875 2.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1199 -5.3564 -0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1981 -3.6049 1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6793 -0.7437 -1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0556 2.0339 2.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8954 0.3904 -1.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5704 1.7574 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0712 -5.5669 2.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0722 -5.5997 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4026 -7.0788 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 17 2 0 0 0 0 3 32 1 0 0 0 0 3 37 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 49 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 26 1 0 0 0 0 6 28 1 0 0 0 0 7 28 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 24 1 0 0 0 0 20 53 1 0 0 0 0 21 25 2 0 0 0 0 21 54 1 0 0 0 0 22 29 1 0 0 0 0 22 55 1 0 0 0 0 23 30 2 0 0 0 0 23 56 1 0 0 0 0 24 27 2 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 26 31 1 0 0 0 0 26 33 2 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 32 2 0 0 0 0 29 61 1 0 0 0 0 30 32 1 0 0 0 0 30 62 1 0 0 0 0 31 34 2 0 0 0 0 33 35 1 0 0 0 0 33 63 1 0 0 0 0 34 36 1 0 0 0 0 34 64 1 0 0 0 0 35 36 2 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 M END > 3202304 > 1.2 > 7 249 109 156 216 262 157 88 198 204 176 29 137 127 65 129 166 30 116 219 153 42 232 246 163 234 91 141 43 211 118 225 154 59 61 186 130 212 237 15 226 131 83 25 55 97 12 194 56 170 139 248 58 47 255 68 71 240 239 144 115 218 263 24 202 64 265 159 164 132 161 243 236 220 155 40 62 214 203 99 149 187 45 33 208 11 177 172 215 100 244 103 223 136 261 252 235 228 148 19 221 32 254 145 258 257 190 233 125 28 259 14 114 70 197 78 38 87 146 264 46 188 105 123 16 179 60 175 3 222 231 41 82 167 224 229 18 245 69 133 256 86 160 213 84 138 135 75 52 76 189 192 207 171 251 201 169 6 247 98 37 122 142 67 206 180 242 185 10 101 227 126 85 143 168 250 74 173 162 140 158 111 79 151 89 230 200 165 53 181 5 195 210 134 104 57 51 96 196 260 253 183 147 110 241 199 119 108 182 31 34 4 117 150 112 92 106 54 193 93 1 35 77 50 128 205 81 36 102 39 124 174 94 23 73 72 238 48 120 20 95 44 63 152 178 107 184 217 9 27 113 191 49 13 66 209 121 17 22 90 2 8 21 26 80 > 47 1 -0.57 14 0.57 15 0.5 16 -0.14 17 0.57 18 0.12 19 0.32 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.04 29 -0.15 3 -0.36 30 -0.15 31 0.23 32 0.08 33 -0.15 34 -0.15 35 -0.15 36 -0.15 37 0.28 4 -0.73 49 0.37 5 -0.48 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 0.05 60 0.15 61 0.15 62 0.15 63 0.15 64 0.15 65 0.15 66 0.15 7 -0.57 8 0.3 > 11.2 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 donor 3 6 7 28 cation 5 6 7 26 28 31 rings 6 16 20 21 24 25 27 rings 6 18 22 23 29 30 32 rings 6 26 31 33 34 35 36 rings 6 8 9 10 11 12 13 rings > 37 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 0030DD0000000007 > 116.8317 > 50.856 > 10165383 225 18049747134611960790 11331351 85 18053106412728002831 11445158 3 17829612760495471266 11582403 64 17488751051796824605 12058002 1 18342460356750159077 12156800 1 17768852888465521052 12160290 23 18121748816602638086 13135754 10 18199476630643025122 133893 2 17259585207253980015 13636023 51 17535487932117856072 15219462 58 18130780209734912494 15324884 4 17244133818168510574 15878777 1 17471892514870088221 16114785 44 17417518224470708186 17980427 26 17838610063775881549 18681886 176 17395913826271228837 19319366 153 17915177901971864832 20600515 1 18192148411271764343 21716022 299 17250345371332976055 23845131 108 18340773620019468611 24941158 1 17398097263000617073 3552219 110 17828487208564979288 376196 1 17129311857144574313 4058900 60 17913506644155708288 469060 322 17531245097245683946 550186 83 15868619521755415049 57527585 21 17557681845520162824 59444896 2 17464574109435548445 7288768 16 18271801281310110336 > 723.91 10.25 6.7 4.62 16.94 14.1 6.14 -8.98 -9.8 -11.25 -3.11 -4.14 -5.15 -0.78 > 1571.155 > 393.2 > 2 5 10 $$$$