51360338 -OEChem-04262402403D 67 72 0 1 0 0 0 0 0999 V2000 1.6231 -2.7989 -1.7339 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 -1.2914 -3.1663 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9764 -2.1617 -3.3271 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7291 2.4823 -0.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5211 -0.7340 -1.5994 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8942 -3.1071 1.0928 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4428 1.0556 0.1122 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5744 0.1309 0.1802 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6255 1.0785 0.0225 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6922 1.3156 2.0291 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1338 2.8183 1.9023 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 2.1663 3.0346 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 3.0835 2.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 -0.0581 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 0.3726 -1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5275 0.7070 1.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 0.2718 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 0.5940 1.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0183 0.9896 0.1395 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5308 -0.8848 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 1.4571 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2333 1.3768 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5904 1.7204 1.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7897 -0.2950 0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3835 -2.2438 0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 0.5703 -1.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 2.7892 -1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9552 -1.0246 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5532 -3.0064 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8249 -2.4034 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 1.0155 -3.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 0.2067 1.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0844 3.2343 -2.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8029 2.3475 -3.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -1.0747 1.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8502 0.3742 1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 -1.7384 -2.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7519 -2.1883 1.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6561 -0.7393 1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -2.0205 1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2683 -4.3876 1.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9273 -1.1221 0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7662 1.4042 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -0.2549 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 0.3167 2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8006 1.7688 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 0.6380 -1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 -0.7840 -0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 1.1835 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7169 -0.4487 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2531 -0.0702 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3821 1.7440 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4167 -2.7252 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9487 3.4947 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9310 -0.5600 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4840 -4.0817 0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7152 -3.0232 0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 0.3385 -3.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9722 4.2712 -3.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 2.6946 -4.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 -1.2309 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2936 1.3660 1.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -3.1543 1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7108 -0.6024 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8847 -4.5959 2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4976 -4.4994 0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0399 -5.1358 0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 22 2 0 0 0 0 5 26 1 0 0 0 0 5 37 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 9 52 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 23 2 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 51 1 0 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 21 27 2 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 26 31 2 0 0 0 0 27 33 1 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 34 1 0 0 0 0 31 58 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 35 38 1 0 0 0 0 35 61 1 0 0 0 0 36 39 2 0 0 0 0 36 62 1 0 0 0 0 38 40 2 0 0 0 0 38 63 1 0 0 0 0 39 40 1 0 0 0 0 39 64 1 0 0 0 0 41 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 M END > 51360338 > 1 > 1 92 248 203 137 240 225 117 186 255 184 136 33 39 213 163 215 179 208 251 250 194 73 102 170 36 209 64 195 78 88 226 140 219 142 60 82 32 196 61 222 223 162 204 21 183 217 181 191 131 199 249 76 41 165 241 48 229 238 227 26 134 220 168 81 245 205 171 246 234 113 253 218 173 94 261 56 107 187 243 164 152 160 207 13 128 254 148 104 68 176 178 135 120 42 58 156 141 103 14 210 228 121 139 144 138 66 201 133 260 80 244 146 193 198 257 161 239 149 18 127 62 7 65 108 25 16 236 85 54 123 200 51 145 169 46 231 37 101 190 90 86 19 49 30 11 53 211 158 224 182 150 52 232 122 197 154 126 235 110 180 15 100 17 59 43 177 38 221 237 118 155 115 166 106 93 259 77 167 230 114 63 116 109 31 91 99 151 202 233 125 87 132 95 97 10 119 188 79 24 83 71 69 70 185 67 247 189 3 50 174 206 27 157 40 175 214 256 159 74 75 29 28 124 143 84 96 112 258 23 216 172 153 192 105 129 47 111 130 35 20 55 242 57 72 6 45 12 147 212 22 44 34 8 98 4 252 9 89 5 2 > 51 1 -0.34 10 0.59 11 -0.34 12 -0.42 14 0.3 17 0.27 18 0.27 19 0.59 2 -0.34 20 0.12 21 -0.14 22 0.69 23 0.01 24 0.12 25 -0.15 26 0.08 27 -0.15 28 -0.15 29 -0.15 3 -0.34 30 -0.15 31 -0.15 32 -0.02 33 -0.15 34 -0.15 35 -0.15 36 -0.15 37 1.3 38 -0.15 39 -0.15 4 -0.57 40 0.08 41 0.28 5 -0.36 52 0.37 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.36 60 0.15 61 0.15 62 0.15 63 0.15 64 0.15 7 -0.81 8 -0.48 9 -0.55 > 9.2 > 12 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 cation 1 9 donor 3 10 11 23 cation 5 10 11 12 13 23 rings 5 8 9 20 22 24 rings 6 20 24 25 28 29 30 rings 6 21 26 27 31 33 34 rings 6 32 35 36 38 39 40 rings 6 7 14 15 16 17 18 rings > 41 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 030FB25200000001 > 142.0227 > 61.002 > 10169797 241 18198074770677393019 11115154 58 17023467421662219468 11399939 17 18262235658924443286 12166972 35 18260266321818313467 12717326 69 18058441183279940119 131258 38 18263906861275817666 13165053 68 17607253348215971570 13383668 262 17972898122103510135 13636023 20 18264227875346369812 13751561 76 17846227665154701990 13782708 43 18340763832490425779 14068700 675 17968374525297403722 15001296 14 16878507963707473387 15064986 96 17560796607543029930 15219463 3 17186741420149526940 15799311 1 17895207636028853627 15911013 46 17552649049517820422 1979834 28 15841834451829214520 23559900 14 18341626893199018941 27425 322 17615130314491196164 4066623 53 13045934703712109406 465052 167 18130498674348676202 513532 50 18261401095439241724 9831232 110 17821720642425855811 > 769.46 17.36 4.16 3.32 37.3 1.09 -0.5 15.4 0.94 -5.29 -1.71 -5.66 -1.59 -1.7 > 1697.105 > 416 > 2 5 10 $$$$