60580345 -OEChem-03282414343D 69 71 0 0 0 0 0 0 0999 V2000 2.2463 -3.5090 -0.5062 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4204 -3.7311 -1.9377 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7661 -4.5091 0.4202 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9987 3.6085 -0.7713 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 0.9888 0.5453 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3391 -1.4030 0.2291 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -3.2692 -0.1807 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 2.8680 0.7384 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1376 0.5040 -0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7473 0.6022 1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 -1.0154 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9492 -0.9169 1.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5556 2.4379 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5274 -2.8524 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2449 2.8263 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0549 2.6675 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2203 3.3419 -1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 3.0242 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 3.6986 -1.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1844 3.5400 -1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 -1.9681 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7128 1.8282 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 0.4956 0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 2.8571 1.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 -2.9089 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 -2.5243 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6535 3.1697 0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 -1.7281 1.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0776 -0.9762 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9811 -0.4963 1.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 0.2556 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 -3.4169 1.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7862 -3.4895 -2.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 0.7223 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0597 0.9931 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7061 1.1025 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 0.9087 2.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -1.5133 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6728 -1.3264 -1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7355 -1.1547 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0285 -1.4086 1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5341 2.8267 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3949 2.9560 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 -3.2043 -0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3072 -3.1327 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6085 -3.3885 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 2.2645 1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1398 3.4699 -1.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 4.0999 -2.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 3.8398 -1.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4799 1.6834 1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 2.2177 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2304 -1.8244 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8637 -3.3804 1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 -1.7805 -1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 -1.9503 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2019 3.7962 1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 2.5016 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 2.4882 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3283 -2.4837 1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 -1.1401 -2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 -0.3197 2.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7372 1.0145 -1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 -3.2572 2.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 -4.4900 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -2.9092 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -2.9491 -2.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 -4.2344 -1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 -4.0273 -2.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 4 27 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 18 1 0 0 0 0 8 27 1 0 0 0 0 8 59 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 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 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 17 19 2 0 0 0 0 17 48 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 21 28 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 27 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 32 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 33 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 28 30 1 0 0 0 0 28 60 1 0 0 0 0 29 31 2 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 M END > 60580345 > 1.4 > 1 61 2 59 66 51 56 156 171 170 123 169 23 168 164 62 150 85 33 192 64 94 42 126 8 77 44 124 159 36 190 103 134 182 57 172 96 179 104 95 72 155 69 29 166 109 178 73 197 39 87 31 83 144 22 24 6 101 86 189 19 132 186 17 70 181 88 174 183 120 196 49 125 160 53 9 25 3 50 78 194 161 117 127 7 81 11 52 71 118 116 149 131 157 105 89 99 191 108 175 67 147 140 141 27 20 37 80 68 139 32 163 45 129 63 93 54 14 115 107 173 16 92 12 79 137 30 133 82 48 187 158 58 165 177 153 60 55 130 102 4 10 43 167 122 138 119 145 65 142 146 113 195 188 26 114 152 74 41 35 121 76 38 46 13 5 21 110 112 15 97 128 28 193 184 154 148 47 143 176 151 91 106 111 100 136 75 34 84 180 40 185 162 135 98 18 90 > 40 1 1.45 10 0.27 11 0.27 12 0.27 13 0.41 14 0.27 15 -0.14 16 -0.15 17 -0.15 18 0.12 19 -0.15 2 -0.65 20 -0.15 21 -0.01 22 0.14 23 -0.14 24 0.06 25 0.36 26 0.36 27 0.57 28 -0.15 29 -0.15 3 -0.65 30 -0.15 31 -0.15 4 -0.57 47 0.15 48 0.15 49 0.15 5 -0.81 50 0.15 59 0.37 6 -0.81 60 0.15 61 0.15 62 0.15 63 0.15 7 -0.85 8 -0.55 9 0.27 > 12.2 > 9 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 cation 1 8 donor 6 15 16 17 18 19 20 rings 6 21 23 28 29 30 31 rings 6 5 6 9 10 11 12 rings > 33 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 039C61F900000001 > 67.938 > 45.692 > 10928967 22 17901962845578614784 11513181 2 18059862757166664191 13122387 1 18411134731828919148 13165053 182 14240584513166230535 13561361 72 18337669724263476882 1361 2 18338801246588387347 15721738 15 16242913972618150477 15968369 153 17769094892824676483 19301679 30 18261968452862617225 20764821 26 17903371638144156191 20775438 99 17615080505485764037 373842 8 18047475814008579803 437795 96 18335691703504594901 4394409 98 16239535190386229565 445580 102 18051975814031018557 463206 1 17690560780367891480 50080093 196 18195518414543071203 66674814 147 17906147892124598669 86090 222 18340209712072010232 > 645.44 10.65 7.35 1.78 8.28 0.98 -0.38 1.57 3.69 -2.09 -1.96 0.17 0.44 1.4 > 1321.105 > 373.4 > 2 5 10 $$$$