15603286 -OEChem-04262420123D 37 38 0 0 0 0 0 0 0999 V2000 1.7027 2.1541 -0.6115 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -3.1088 -0.0315 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4665 3.2182 0.6997 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0291 1.6397 -1.3857 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.7464 2.4643 -0.3149 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8200 0.3972 -1.0203 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4687 0.9346 0.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5517 -3.8595 1.2156 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9365 -3.7800 -1.2649 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 -0.6880 -1.8541 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 -1.7608 0.1913 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 -0.9835 0.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 -2.4107 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 0.3525 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4983 -1.6561 0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 -0.7199 -0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9529 0.2146 1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8601 -1.5373 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2621 0.3053 0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1899 0.8589 1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0972 -0.8930 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3286 1.6673 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0431 -0.0268 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2557 2.6419 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9699 0.9476 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 2.2820 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0096 1.3462 -0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 -2.5859 -1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0989 -1.4965 1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0734 -1.6853 1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 0.6617 2.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7712 -2.4775 -0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3122 1.7925 1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9268 -1.3402 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3636 -1.0616 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9654 3.6861 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9986 0.6682 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 5 27 1 0 0 0 0 6 27 1 0 0 0 0 7 19 1 0 0 0 0 7 27 1 0 0 0 0 10 16 2 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 29 1 0 0 0 0 17 20 1 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 M END > 15603286 > 0.8 > 1 84 149 94 226 16 225 189 163 77 175 166 237 160 156 66 75 205 206 89 150 86 221 115 228 104 212 158 171 174 13 217 65 184 180 92 233 199 164 241 218 95 135 162 133 182 168 93 113 85 47 197 220 181 23 191 74 151 235 211 114 101 202 111 209 161 64 117 204 216 122 136 207 52 91 210 229 99 5 193 223 155 21 230 81 37 232 141 116 239 165 48 185 123 121 176 195 88 172 203 198 201 186 126 153 170 71 227 152 70 96 183 173 194 124 244 234 190 127 45 30 146 231 140 138 56 222 219 132 179 224 102 196 177 26 128 18 62 78 242 76 214 213 27 139 12 142 188 167 61 208 236 110 49 159 112 10 178 144 238 40 137 60 54 80 44 107 72 68 63 131 118 90 7 157 187 58 35 9 169 106 17 125 108 6 42 200 105 14 8 100 53 43 240 82 24 51 154 73 120 145 59 11 215 15 34 119 69 3 55 46 148 57 32 33 19 87 38 83 129 31 103 67 109 98 29 25 143 134 79 130 97 2 28 147 4 192 39 22 36 41 243 50 20 > 37 1 -0.18 10 -0.57 11 -0.79 12 0.03 13 -0.17 14 0.09 15 -0.18 16 0.72 17 -0.15 18 -0.15 19 0.08 2 1.45 20 -0.15 21 -0.15 22 0.18 23 -0.15 24 -0.15 25 -0.15 26 0.19 27 1.3 28 0.15 29 0.15 3 -0.19 30 0.42 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 4 -0.34 5 -0.34 6 -0.34 7 -0.36 8 -0.65 9 -0.65 > 7 > 7 1 10 acceptor 1 11 donor 1 7 acceptor 1 8 acceptor 1 9 acceptor 6 12 17 18 19 20 21 rings 6 14 22 23 24 25 26 rings > 27 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 00EE165600000001 > 70.2349 > 35.541 > 11135609 127 18265884762682229061 11200772 71 17917417779362908495 11370993 70 18269563887175282634 12107183 9 18410004469422591306 12633257 1 15719678752627109566 12769317 202 18413387626970073914 13103583 49 14923946794669423098 13402501 40 18333731320889500749 14251764 30 9655587313413300460 14931854 50 17917722309434004152 15003188 8 18335700580874973764 15238133 3 17822300132223753244 16120349 189 18336828722881209404 20157964 124 18412266099640534287 20511986 3 18202273732204986484 20554085 129 17988065773549682794 20567600 254 18409732876263307818 20715895 44 18410013238738104304 21033648 29 17604161350131001355 21298829 104 18411704262089709961 21304303 282 17985534787940848110 21315763 76 18342460326474637385 21403212 168 18409722938352927114 22950370 63 8718561505774578106 23522609 53 17345770573333658617 23559900 14 18267309720719586171 23569914 2 16954181705840408973 23845131 108 18260268572477044714 2748736 6 18412258454230047608 2838139 119 18409726236322801165 3472631 163 18343022202675743446 34797466 226 18131076996354345287 393628 179 17845926455304452784 44880168 125 14129601303953586936 474 4 18410018731827456082 56633871 153 11241969300055181137 59755656 215 18261676982547078724 6327066 14 18340205306020944724 6328613 192 18193009329926053340 67856867 119 18337389340293427187 9981440 41 18337116790401221858 > 503.81 16.22 4.05 1.2 10.94 2.55 -0.06 -16.73 -1.16 -3.45 -0.1 0.63 0.11 1.34 > 1056.765 > 287.6 > 2 5 10 $$$$