25163648 -OEChem-04192420083D 57 59 0 0 0 0 0 0 0999 V2000 -2.7247 -0.3859 -2.5794 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6046 -0.2160 -1.1748 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7615 0.0082 2.0799 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 -0.4662 -2.5534 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9655 0.1173 -0.8116 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0903 4.0759 0.8874 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 2.5526 -1.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0761 -1.5287 -0.2094 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 1.3194 0.2188 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 -1.3569 1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -2.1165 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 -2.5358 1.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -3.6271 -0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5437 -3.9323 1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 -4.0899 1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5507 1.0614 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1847 1.0337 -0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0848 2.0988 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 2.0431 -0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2528 3.1086 0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8865 3.0803 0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 1.9954 -0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 1.2148 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -0.2142 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4498 0.6783 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5747 -1.0071 -1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5145 -0.7449 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7227 5.0945 1.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0138 -2.3308 -1.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9537 -2.0686 0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7036 -2.8616 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 -1.2397 1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -0.4497 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5282 -1.9410 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -1.6632 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8824 -2.4715 2.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0485 -2.4293 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4555 -4.0942 -1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7553 -4.0012 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7851 -4.6336 2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1626 -4.2423 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -5.1585 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -3.5859 1.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 0.2517 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1444 2.1432 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7385 3.8805 1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6455 1.7469 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8724 1.7582 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1352 0.9002 2.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4572 1.0161 1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 -0.4028 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0579 5.8011 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 5.6595 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 4.6922 2.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8265 -2.9621 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4905 -2.4814 1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0456 -3.8921 -0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 27 1 0 0 0 0 6 21 1 0 0 0 0 6 28 1 0 0 0 0 7 22 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 18 20 2 0 0 0 0 18 45 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 29 2 0 0 0 0 27 30 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END > 25163648 > 1.2 > 9 233 87 179 108 98 172 158 150 93 220 160 140 240 190 51 91 232 125 101 203 201 207 82 221 171 222 216 35 195 186 184 204 209 86 128 48 164 116 109 104 44 139 193 130 134 215 175 105 33 163 137 212 208 146 144 15 169 37 188 102 159 227 99 32 43 176 225 185 52 223 178 218 122 173 219 229 129 23 63 148 170 182 230 149 143 213 126 111 206 81 231 197 40 152 156 238 151 196 106 194 92 20 94 5 58 200 96 236 79 239 60 138 234 228 155 211 133 24 88 11 13 6 214 8 198 72 113 74 217 3 56 73 205 64 183 100 187 75 57 84 107 65 235 103 12 192 224 61 167 135 31 45 120 174 53 168 80 17 147 153 47 154 21 46 161 127 181 237 55 10 27 145 165 177 67 97 115 34 112 36 123 54 62 42 180 202 2 118 71 162 16 7 59 29 121 110 117 38 22 124 39 76 142 4 14 19 77 89 69 166 210 1 49 28 41 199 18 132 68 95 50 226 114 25 30 141 83 131 189 136 119 26 78 191 157 85 70 90 66 > 33 1 -0.18 10 0.36 11 0.36 16 -0.01 17 -0.15 18 -0.15 19 0.09 2 1.45 20 -0.15 21 0.08 22 0.54 23 0.44 24 -0.14 25 0.3 26 0.18 27 0.19 28 0.28 29 -0.15 3 -0.19 30 -0.15 31 -0.15 4 -0.65 44 0.15 45 0.15 46 0.15 5 -0.65 55 0.15 56 0.15 57 0.15 6 -0.36 7 -0.57 8 -0.85 9 -0.66 > 8.4 > 7 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 6 16 17 18 19 20 21 rings 6 24 26 27 29 30 31 rings 7 8 10 11 12 13 14 15 rings > 31 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 017FF78000000009 > 82.3166 > 35.541 > 10928967 22 18408610279144702687 114674 6 18194122047343303067 11991303 11 17105373668427268364 12107183 9 17986697946994419025 12553582 1 18342176622388619167 12788726 201 18194414289929794448 13583140 156 18271805795912056605 14251757 17 16660366952362963579 14705955 166 16766734622135992648 15001296 14 17983013646554122279 15537594 2 18337689549964416431 15776043 110 18196684872442529257 19319366 153 18189620617397468046 20511986 3 17488459870600330117 20764821 26 18189340073774903067 20775530 9 18042969783223997586 21197605 99 17262160731807030487 21458453 9 17980719889283791562 21703447 108 18127963303852194473 21796203 349 18266202615456931074 235170 7 16660646288525030239 3737641 26 18337402555912642942 445580 102 18334848377411221230 463206 1 18408328778160642531 5309563 4 18411420639343767601 613672 6 18122324814376391642 86090 222 17825684506028723043 > 602.97 9.93 6.03 1.97 7.81 1.59 0.44 -8.16 -0.95 -4.68 -3.1 0.16 -0.21 -0.96 > 1251.428 > 347.1 > 2 5 10 $$$$