Tautomer_2O-4O_MXA_thre_M06_6311gdp_DCM C 0.7068576275 -4.8518360519 2.5928699429 H 1.1369998074 -5.719371878 3.1028144074 C 0.6754313315 -3.5983656675 3.3218504083 C 0.1556420211 -2.4729330935 2.702426572 C 0.18364914 -1.1832243252 3.3515115799 C 0.771448383 -1.1330856616 4.6570668237 C 1.3512233659 -2.3067665438 5.2733838714 C 1.2578737523 -3.5186862149 4.6450370856 C 0.7485574156 0.0786727361 5.3566527111 H 1.1722193876 0.11759147 6.3556833065 C 0.0670222346 2.3905078766 5.6637866872 C 0.0289822165 2.3517748793 7.0612529481 H 0.0815171785 1.3979943447 7.5705577751 C -0.1212173475 3.5071434043 7.8017092581 C -0.2532504488 4.7495165018 7.1322983633 C -0.2421641925 4.7771028374 5.7540310969 H -0.3059434249 5.7288399642 5.241124034 C -0.0946897378 3.6060067752 4.9927216029 C -0.5345928133 4.555477393 2.8856586539 H -1.0771808254 5.3759076968 3.3640199595 C -0.4106485332 4.5941994574 1.443874846 C 0.2931434303 3.5852062973 0.8118922024 C 0.4275330393 3.5330318676 -0.6268618898 C 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2.790282731 -3.8578742103 C -3.6005702802 3.0599371579 1.6485069976 H -4.5591559294 2.59023725 1.8983023036 H -2.916982259 2.8675052657 2.4824709226 H -3.7741631267 4.1393166506 1.5860534421 Tautomer_1O-2O_MXA_thre_90_tt_60_M06_6311gdp C 0.6425929299 -4.7538879363 2.6200086962 H 0.910484578 -5.6702371078 3.1358414517 C 0.6326677807 -3.5561826223 3.3316149154 C 0.259961354 -2.3587557525 2.6456847834 C 0.233180193 -1.0812043711 3.4307417704 C 0.6820666845 -1.1044051394 4.7849530864 C 1.1238988272 -2.349024711 5.4108279636 C 1.0528923266 -3.5265080119 4.7334534478 C 0.7031137251 0.0966136952 5.4934011067 H 1.0598701373 0.1012286122 6.5186149596 C 0.279730119 2.4987067987 5.6878108835 C 0.4074528185 2.5781170842 7.0779362384 H 0.5175449576 1.6718623814 7.6594954629 C 0.3580356964 3.795472056 7.7289212179 C 0.1667310597 4.9823150955 6.9788952452 C 0.0218420464 4.8960999732 5.6104861759 H -0.0791528333 5.8008829159 5.0232674327 C 0.0646433506 3.6627337305 4.9419552032 C -0.6819208728 4.4175818118 2.8487255917 H -1.2614655327 5.2031844036 3.3439630261 C -0.6597532548 4.4250509112 1.3979067033 C 0.253368819 3.5998595423 0.7327706566 C 0.3636718086 3.6232688975 -0.6596976735 C -0.4338155178 4.5032591684 -1.4021778817 C -1.3625151289 5.3492206831 -0.7369478328 C -1.5073629805 5.2805024008 0.6423205925 C -0.3419563751 4.4827911908 -2.8513985031 H -0.9841287465 5.1740344361 -3.408171032 C 0.5187626347 3.7173694423 -4.879334058 C 0.4962798984 4.9318294294 -5.580893001 H 0.4471091928 5.8544039086 -5.0140057651 C 0.5843346781 4.9732696863 -6.9589568055 C 0.6846094189 3.7626049243 -7.6825220208 C 0.6985262108 2.5628093829 -6.9940473285 H 0.7994100237 1.6249876288 -7.5288394405 C 0.6314781573 2.5236341248 -5.5967646635 C -0.1752740963 0.3814834775 -5.2515299554 H -0.9142540527 0.5839034738 -6.0353436217 C -0.2269871227 -0.9194268764 -4.6002406283 C 0.8372643789 -1.3187432558 -3.7867515409 C 0.745513141 -2.5231229177 -3.0696212636 C -0.3919030927 -3.3278308564 -3.2087449492 C 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C -0.1979474868 -9.6446175833 -2.9015864128 H -1.0838291766 -9.0936954171 -3.2404334285 H 0.6970663218 -9.2117019174 -3.3646650501 H -0.2872440945 -10.6873919988 -3.2024595702 C 0.122359573 -9.8501613317 2.4862382572 H 1.0715856453 -9.4427740057 2.8548712445 H -0.7105622001 -9.3433370956 2.988528109 H 0.0784963271 -10.9150622413 2.7094878688 C 0.7014086112 2.8183886231 9.853932947 H -0.1369683088 2.1150119215 9.7855717325 H 1.6295536056 2.3081633348 9.5698010029 H 0.7867107271 3.1744197542 10.8793352706 C -0.0372388871 7.3353104864 6.9926263356 H 0.7688547418 7.5149847707 6.2709227048 H -1.0014347684 7.3451820715 6.4699155492 H -0.0278777785 8.1249729242 7.7423969085 C 2.2059310717 -0.3870660012 -0.025645455 H 2.1448276517 -1.3096927069 -0.6075411019 H 2.6928516996 0.3741032029 -0.6445470264 C -0.0782732749 -0.0501258835 -0.9898394905 H -0.3155790662 -1.1197210085 -1.0613722565 H 0.5120884051 0.2296733666 -1.8639627921 C 2.9047242361 -0.5963267217 1.2850985282 C 3.1458781614 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