70249357 -OEChem-05122416043D 63 66 0 1 0 0 0 0 0999 V2000 3.1233 -1.9456 0.9021 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 -1.7072 1.9376 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9051 1.0669 -2.2237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3621 -4.1898 -1.4491 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1817 -5.0830 -0.4484 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5369 -1.8854 -0.2236 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 0.6613 1.9441 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8528 0.2397 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0314 0.3952 1.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3082 -0.4123 -1.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7282 -0.5700 0.9243 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1910 1.1561 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 0.3500 -1.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 0.5103 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 -0.4490 0.1676 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8244 0.9634 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3392 -1.4144 0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6132 1.6485 -1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6223 -2.7894 0.0777 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5204 1.5744 1.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9742 -2.1824 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 2.9446 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 2.8705 1.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 -0.8664 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 3.5556 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 -4.1286 -0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5241 0.3783 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2891 -0.6603 1.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7207 1.3198 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 0.7957 -1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0111 2.6631 0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9116 2.1363 -1.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 3.0539 -0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 1.2542 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7068 0.9279 2.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3869 -0.5911 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 -1.4455 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4896 -0.4487 -1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 -0.2811 1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0354 1.1938 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8867 2.1930 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1224 1.3401 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8082 -0.1761 -2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4201 1.1181 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0736 -0.4733 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5546 -0.7926 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 -2.4358 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4072 -1.6095 -1.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6072 -3.0058 1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 1.0595 2.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -2.0515 -1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7852 -2.8792 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 3.4894 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2339 3.3455 2.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6092 4.5639 0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6926 1.6901 -2.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1399 -1.3330 2.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6582 1.0922 2.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4742 0.0962 -2.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1587 3.3785 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 -5.0691 -1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9866 2.4643 -2.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3257 4.0906 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 47 1 0 0 0 0 2 17 2 0 0 0 0 3 18 1 0 0 0 0 3 56 1 0 0 0 0 4 26 1 0 0 0 0 4 61 1 0 0 0 0 5 26 2 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 48 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 58 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 19 49 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 55 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 59 1 0 0 0 0 31 33 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > 70249357 > 1 > 1 40 110 219 180 101 185 159 211 129 246 207 226 52 172 80 151 88 83 261 210 125 181 127 150 203 253 179 15 69 11 46 72 165 214 34 258 105 160 146 17 94 20 227 236 157 196 186 254 140 112 223 190 131 133 42 189 212 194 148 120 113 142 229 249 195 85 97 109 121 60 126 242 177 248 30 44 141 9 184 187 89 25 257 156 198 35 250 152 130 138 53 205 104 79 232 252 149 220 124 137 218 92 245 103 167 5 153 164 61 244 70 158 217 243 147 68 201 43 174 71 260 50 99 95 230 259 262 208 114 64 162 37 33 183 197 118 238 233 90 204 144 209 19 163 116 173 216 247 228 191 256 63 3 51 13 18 98 188 175 96 192 47 215 182 6 10 84 170 134 251 239 255 86 23 222 115 54 107 93 128 119 65 235 241 74 48 38 55 193 237 16 14 58 77 91 106 171 8 154 221 31 49 24 100 139 176 166 225 234 75 178 202 168 231 206 135 161 102 82 87 27 240 213 224 132 62 26 73 41 29 117 123 155 12 108 81 45 122 57 111 78 56 169 32 7 67 145 136 21 36 22 66 143 200 4 59 199 76 39 2 28 > 40 1 -0.68 11 0.28 15 0.2 16 -0.14 17 0.57 18 0.08 19 0.36 2 -0.57 20 -0.15 21 0.18 22 -0.15 23 -0.15 24 -0.18 25 -0.15 26 0.66 28 -0.3 29 -0.15 3 -0.53 30 -0.15 31 -0.15 32 -0.15 33 -0.15 4 -0.65 47 0.4 48 0.37 5 -0.57 50 0.15 53 0.15 54 0.15 55 0.15 56 0.45 57 0.15 58 0.27 59 0.15 6 -0.73 60 0.15 61 0.5 62 0.15 63 0.15 7 0.03 > 10.2 > 14 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 donor 1 4 acceptor 1 5 acceptor 1 6 donor 1 7 cation 1 7 donor 3 4 5 26 anion 5 7 24 27 28 29 rings 6 16 18 20 22 23 25 rings 6 27 29 30 31 32 33 rings 6 8 9 10 12 13 14 rings > 33 > 3 > 0 > 0 > 0 > 0 > 1 > 6 > 042FEB8D00000001 > 64.42 > 71.201 > 105312 117 18413390925542218318 11014199 57 17978228592760063834 11513181 2 18269834211921599342 12107698 1 17458632254695419465 12422481 6 17386277689343519572 12788726 201 18129658574488086480 12969540 114 18341891862052064040 13690498 29 18123758814131523798 13911987 19 18338794516353730245 14068700 675 17983833830504024775 14114211 80 18269840818213906329 14251757 5 18411707612031630598 14790565 3 18267020557529492608 14840074 17 18188504462117629512 14856354 85 16878241838743100450 15297060 5 18200317598003372440 15484559 13 15079822063074341574 19319366 153 17749661896571457507 19958102 18 18198634233496937886 20101258 96 18046353203783331659 20511986 3 17676757704787931520 20600515 1 17915764113510690064 21033648 29 18272641342574861609 21033650 10 18188790434637028366 350125 39 18408885157615310857 4015057 19 16558743555505754210 5171179 24 17981884448054380816 70251023 43 17834961145419224802 7226269 152 18408890633445899264 > 639.82 11.06 4.9 1.77 16.18 4.77 0.12 -4.33 1.35 -5.41 1.18 -0.27 -0.41 0.23 > 1376.207 > 349.6 > 2 5 10 $$$$