15922818 -OEChem-04262413583D 71 75 0 1 0 0 0 0 0999 V2000 1.8304 1.5548 0.1455 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 -0.0746 1.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4548 5.1535 -0.1251 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7615 4.1808 1.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 1.9171 3.0518 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2734 2.2223 -1.4931 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3361 -2.5231 0.0183 O 0 3 0 0 0 0 0 0 0 0 0 0 -1.5728 3.9923 -0.7745 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 -0.4943 3.7148 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2102 -3.7206 0.9452 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1537 -0.6653 -3.5082 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6254 -4.0919 -0.5028 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0376 -2.5580 -2.7719 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2245 -1.2212 -1.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 3.7765 0.0220 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4739 3.5646 1.3736 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5206 2.9305 -0.0833 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6342 2.0767 1.6854 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3266 1.3174 1.4608 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8856 3.0351 -1.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 -0.8326 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3986 -1.8328 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.6913 2.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -1.4741 1.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4408 2.8295 -1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 -2.3596 0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 -2.0231 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 -1.3475 2.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9484 -3.1137 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5595 -2.9764 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -1.2473 -1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 1.8305 -1.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1365 -2.1038 2.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1073 -2.9852 1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9671 -1.4275 -2.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7094 -3.1564 -0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -2.3819 -2.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7842 2.1917 -0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9515 1.2943 -0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7549 -0.0769 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2229 1.8397 -1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8601 -0.9261 -1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 0.9903 -1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1466 -0.3925 -1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 3.5167 -0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 4.0742 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 3.2517 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 1.6466 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5931 1.6515 2.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5663 2.6327 -2.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6543 4.0668 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 5.3172 -1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2818 3.7354 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0923 0.9629 3.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 -0.0003 3.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9117 -3.7975 -0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3954 -3.5780 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0799 -0.5050 -1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 0.8369 -1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0423 -2.0046 2.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9984 3.2129 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 0.2479 3.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0152 -4.2697 0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 -0.9226 -3.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 -4.5291 0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5742 -3.2583 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7743 -0.5349 -0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3805 2.9148 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7065 -2.0016 -0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3277 1.4119 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9149 -2.1429 -1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 15 1 0 0 0 0 3 52 1 0 0 0 0 4 16 1 0 0 0 0 4 53 1 0 0 0 0 5 18 1 0 0 0 0 5 54 1 0 0 0 0 6 20 1 0 0 0 0 6 25 1 0 0 0 0 7 22 2 0 0 0 0 7 26 1 0 0 0 0 8 25 2 0 0 0 0 9 28 1 0 0 0 0 9 62 1 0 0 0 0 10 34 1 0 0 0 0 10 63 1 0 0 0 0 11 35 1 0 0 0 0 11 64 1 0 0 0 0 12 36 1 0 0 0 0 12 65 1 0 0 0 0 13 37 1 0 0 0 0 13 66 1 0 0 0 0 14 44 1 0 0 0 0 14 71 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 32 1 0 0 0 0 26 29 2 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 29 56 1 0 0 0 0 30 36 1 0 0 0 0 30 57 1 0 0 0 0 31 35 2 0 0 0 0 31 58 1 0 0 0 0 32 38 2 0 0 0 0 32 59 1 0 0 0 0 33 34 2 0 0 0 0 33 60 1 0 0 0 0 35 37 1 0 0 0 0 36 37 2 0 0 0 0 38 39 1 0 0 0 0 38 61 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 67 1 0 0 0 0 41 43 2 0 0 0 0 41 68 1 0 0 0 0 42 44 2 0 0 0 0 42 69 1 0 0 0 0 43 44 1 0 0 0 0 43 70 1 0 0 0 0 M CHG 1 7 1 M END > 15922818 > 1.2 > 1 6 193 225 127 177 210 104 68 176 196 249 91 211 83 67 2 155 170 115 168 3 79 165 151 134 74 119 189 4 250 7 162 251 120 29 222 248 230 245 152 207 208 231 58 18 238 157 236 166 109 159 65 182 89 105 8 243 25 232 122 84 57 147 88 45 61 16 111 156 113 69 43 51 154 11 82 215 163 31 81 128 137 14 178 92 218 171 205 179 241 62 106 35 223 107 23 73 70 190 100 229 139 47 9 201 256 87 80 17 48 146 172 206 173 93 124 199 226 21 257 142 24 228 130 42 234 40 237 254 26 37 141 164 187 54 253 126 13 180 158 60 252 30 136 148 194 150 135 216 38 255 97 32 33 200 55 131 15 118 227 233 34 63 235 202 198 64 153 12 39 125 102 110 99 94 213 186 95 217 114 44 78 161 192 36 75 129 197 195 240 145 214 239 184 50 212 244 149 41 220 27 5 143 108 52 116 98 181 77 140 101 185 96 132 247 86 221 28 20 123 49 117 56 160 22 167 203 138 219 10 209 53 144 72 174 133 66 242 224 246 90 71 59 103 188 175 204 183 85 76 112 19 169 46 121 191 > 64 1 -0.56 10 -0.53 11 -0.53 12 -0.53 13 -0.53 14 -0.53 15 0.28 16 0.28 17 0.28 18 0.28 19 0.56 2 -0.36 20 0.28 21 0.09 22 0.85 23 -0.18 24 0.03 25 0.71 26 0.92 27 0.09 28 0.08 29 -0.15 3 -0.68 30 -0.15 31 -0.15 32 -0.14 33 -0.15 34 0.08 35 0.08 36 0.08 37 0.08 38 -0.18 39 0.03 4 -0.68 40 -0.15 41 -0.15 42 -0.15 43 -0.15 44 0.08 5 -0.68 52 0.4 53 0.4 54 0.4 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.43 60 0.15 61 0.15 62 0.45 63 0.45 64 0.45 65 0.45 66 0.45 67 0.15 68 0.15 69 0.15 7 -0.87 70 0.15 71 0.45 8 -0.57 9 -0.53 > 9.2 > 20 1 1 acceptor 1 10 donor 1 11 donor 1 12 donor 1 13 donor 1 14 donor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 8 acceptor 1 9 donor 6 1 15 16 17 18 19 rings 6 24 26 28 29 33 34 rings 6 27 30 31 35 36 37 rings 6 39 40 41 42 43 44 rings 6 7 21 22 23 24 26 rings > 44 > 5 > 0 > 1 > 0 > 0 > 1 > 366 > 00F2F68200000001 > 135.7845 > 101.603 > 10032420 55 17824821135876165317 10169797 241 18260830380258458105 10864689 126 18117267061679315549 11285246 1 17330853318042615910 11411753 29 18189068636780575315 11513181 2 18196647608784464375 11578080 2 18338234967967051206 12156800 1 17676493882364021892 12758862 65 18130511842639629078 13751561 76 18335134310800738152 14068700 675 17987236634012537225 15219648 60 17895192164971682507 15721738 202 17346594136536929884 15968369 153 18188773989565674979 20764821 26 18115038501395624655 20775438 99 18266722740508143863 21197605 99 18116702105786444673 238918 7 18050004686341465252 244849 19 18262246628317857611 24941158 1 17988090001270716768 25223398 141 16590527004490224589 3388396 114 17774452692770469689 4066623 53 18335702702678443724 437795 70 18335425621432346527 469060 322 17343513198177584558 5081480 168 18270142165344860623 508180 173 18264777562456273419 513532 50 18411412929808997092 5171179 24 18337964470715531726 5776283 40 18335426746291479870 6086070 43 18410582768555621026 6823239 73 18196075669237573653 > 823.33 15.02 6.25 2.97 21.54 4.14 -0.82 -4.22 9.48 -6.48 -0.28 -2.51 -0.9 6.27 > 1807.632 > 439.8 > 2 5 10 $$$$