49795142 -OEChem-04262409023D 36 38 0 1 0 0 0 0 0999 V2000 1.7451 2.2787 -0.3983 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 2.5877 1.0955 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8331 -3.0032 0.9674 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 -0.6635 0.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3308 -2.2132 -0.8388 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -1.6512 0.9459 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0380 -1.5370 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4207 -0.7213 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9856 -0.7909 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2043 -0.0198 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6016 0.5353 1.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2421 -1.1304 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 -1.7528 -1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4256 0.9733 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6041 1.3826 0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2447 -0.2833 -1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2024 1.3736 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4044 -0.7081 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4984 1.8767 -1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4004 2.0789 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.0028 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 1.3906 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1598 -1.4081 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 -0.0368 1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 0.8671 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1109 -2.1014 -1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 -2.1400 -1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8759 -0.6155 -1.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4282 -1.7940 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1518 -3.5629 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2775 2.0004 -0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0836 2.8591 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9698 1.4815 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4171 3.1648 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5369 -0.5383 0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5334 1.9395 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 3 6 1 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 17 1 0 0 0 0 10 18 2 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 28 1 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 18 29 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END > 49795142 > 0.6 > 1 202 41 82 210 105 160 216 92 205 176 61 224 144 78 42 32 140 133 228 179 173 68 35 81 218 51 135 212 109 221 230 100 44 28 175 233 174 168 185 207 79 37 191 136 131 43 77 184 177 190 161 203 155 63 158 126 164 69 124 197 153 112 186 121 86 227 146 199 60 87 80 214 122 219 180 40 147 134 36 116 120 223 110 204 229 66 84 215 30 170 94 220 183 47 108 143 166 118 226 231 64 206 52 19 74 200 201 103 198 156 130 152 167 162 31 165 93 181 125 169 127 129 89 76 115 163 189 65 70 111 209 217 151 90 187 56 225 13 25 171 101 53 20 148 142 193 39 157 27 23 213 26 58 232 194 182 139 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17458630037938173435 14123255 352 18408885135328188508 14251764 38 18339647848882678964 14790565 3 17612883999646036764 15188451 53 15213594454642562113 15196674 1 18410012165080611172 17780758 139 12035718821325257623 1813 80 12535622782489834715 20715895 44 18337106774268156081 21033648 144 18261945357952710196 21298829 104 18340768122836518629 21421861 104 17531510003098358130 22749437 52 18411144674715483405 22950370 63 8430316852998463622 23227448 37 18410012152617455919 23402539 116 18341888593645235942 235170 7 14907905946459748472 23559900 14 18270404884848924646 2838139 119 18409722967525953180 3472631 163 18340484444699094053 351380 180 18409727370057056140 351380 3 10015862089357918413 4017518 198 17418376875409568910 4325135 7 18412823617025043199 474 4 18410292471899972931 5104073 3 18114739451829457696 5486654 36 8718829812328675687 56616090 46 18260268534064346926 57724786 102 17313394451961860916 6328613 192 18261682571170248428 9981440 41 18409728486654355211 > 431.51 12.51 2.82 1.04 3.27 0.03 -0.02 7.74 -1.25 -0.99 0.14 -0.9 -0.11 0.25 > 936.966 > 238.4 > 2 5 10 $$$$