69985553 -OEChem-03292408593D 70 74 0 1 0 0 0 0 0999 V2000 2.4502 3.6926 0.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0151 3.9036 -0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 -3.0169 -0.4419 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9065 0.0111 0.3833 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6883 -2.2994 0.3278 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.1343 -1.1028 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7027 -0.6793 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0996 -2.3879 0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9347 -1.8328 -1.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2819 -3.4803 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1343 -4.0896 -1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 -3.8352 -0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7153 -3.7811 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 -3.5557 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0484 0.6059 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5571 0.5717 1.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1321 -2.1483 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9624 -1.1575 0.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4334 1.5773 0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 -0.9380 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 0.1835 0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8098 0.2943 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 1.5445 1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7628 0.3605 -1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5876 2.3427 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7241 1.3374 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 1.5504 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 1.1321 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3118 2.1086 -0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 2.5848 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5146 2.6908 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1452 3.4970 0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 4.3159 -1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6742 -1.3165 -1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 -0.3451 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 0.1771 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1212 -2.7471 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6676 -2.1869 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3866 -2.0670 -2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0814 -1.4737 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2459 -4.3481 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7924 -3.7975 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3671 -5.0524 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3648 -4.2073 -2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6737 -2.9215 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 -4.6556 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1122 -3.0410 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4464 -4.7462 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7587 -4.3940 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3867 -3.5921 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6841 0.2401 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3545 -2.0342 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6722 -3.0364 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 -1.1908 2.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -1.1832 0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6856 -0.7359 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -1.1727 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4765 2.1653 2.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -0.3942 -1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9168 3.1070 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 1.1942 1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 1.6382 -0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4817 0.9671 -2.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2028 2.6960 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6677 4.4810 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 3.1101 1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5238 2.8778 0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2624 3.6169 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7188 4.3890 -2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2415 5.3029 -2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 32 1 0 0 0 0 2 31 1 0 0 0 0 2 33 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 34 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 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 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 19 1 0 0 0 0 15 24 2 0 0 0 0 16 23 2 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 21 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 23 1 0 0 0 0 19 25 2 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 27 2 0 0 0 0 23 58 1 0 0 0 0 24 28 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 25 60 1 0 0 0 0 26 30 1 0 0 0 0 26 61 1 0 0 0 0 27 31 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 2 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 M END > 69985553 > 1.2 > 2 81 191 229 57 44 193 66 168 128 203 211 87 52 3 92 117 10 226 145 104 215 58 218 177 188 127 148 8 41 56 126 75 196 60 33 86 16 155 116 105 123 199 82 83 12 115 6 131 51 189 183 187 151 195 67 100 212 73 102 173 93 38 122 204 113 224 90 166 101 194 157 197 62 208 170 21 125 65 138 130 146 118 110 49 213 15 198 72 165 192 134 219 17 228 43 223 136 13 85 36 61 169 54 119 207 144 30 28 156 190 78 46 32 29 23 181 214 172 137 76 147 48 11 27 205 142 47 98 141 37 150 77 121 132 217 59 24 34 174 154 20 95 206 94 9 39 112 133 158 176 139 201 5 185 161 14 152 159 22 7 26 160 111 68 106 202 97 221 124 149 230 216 178 64 91 140 114 171 69 225 70 107 109 96 143 164 50 227 186 45 135 84 19 53 175 210 120 74 18 79 222 129 55 31 4 220 182 179 99 63 42 180 1 162 153 200 40 163 108 184 35 71 167 209 103 25 89 88 80 > 36 1 -0.36 10 0.27 11 0.27 14 0.27 15 -0.15 16 -0.3 17 0.27 18 0.41 2 -0.36 20 0.14 21 -0.14 22 -0.14 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.81 30 0.08 31 0.08 32 0.28 33 0.28 4 0.05 5 -0.81 51 0.15 58 0.15 59 0.15 6 0.26 60 0.15 61 0.15 62 0.15 63 0.15 64 0.15 9 0.27 > 10 > 10 1 1 acceptor 1 2 acceptor 1 3 cation 1 4 cation 1 5 cation 5 4 15 16 19 23 rings 6 15 19 24 25 28 29 rings 6 21 22 26 27 30 31 rings 6 3 6 7 8 9 10 rings 6 5 17 18 20 21 22 rings > 33 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 042BE51100000002 > 83.1557 > 50.866 > 10439779 11 18126265675231180658 10483366 6 18199485272925106398 10675989 125 18409729560970788888 10811444 77 18338513032982062261 10974685 15 17406548581876986288 11059048 146 18123476243927193484 11273773 38 18411982451384017610 11374522 174 18188225297886254341 11434127 23 17026853067320022464 12655364 74 15802749287537813444 12925494 130 18411133654146010771 1361 2 18340767039976206971 13944108 23 18339364041907284956 14117953 113 18270117899402364438 14251764 75 18410016575769210196 14790565 3 18120661485686365828 15001296 14 18408885148540222688 15145343 54 18190476024405618239 15183329 4 18413106130772150081 15274700 147 16239299413857054109 15320295 198 18044655300711866901 15320467 1 18339925892011565761 16087824 20 18338797789746400986 16112460 7 18413385440942730064 16992727 255 18263659523236700084 21585483 110 18408884018879564101 21716022 299 14403509273516178414 22122407 14 18411142407289243163 241686 156 18335144244912933756 245318 6 18335714865719533117 27425 322 18040715861812864019 3103668 31 17258788014850134678 3146121 3 18340490067386641403 3388396 114 16687087610801574942 394071 54 18336552599227955935 397830 11 18188505605633621467 44880168 125 14418129591357257826 53794403 172 18411140212318355119 58902169 19 18058715898094094079 6058803 2 18193538177438808502 6371009 1 18200025136647829633 > 652.44 17.85 6.45 1.38 18.84 0.8 -0.11 -15.01 -2.16 -7.83 -1.18 0.9 -0.54 -2.42 > 1392.923 > 363.8 > 2 5 10 $$$$