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Coordinates from ORCA-job orca E -572.389774274733 O -4.015711 -0.682134 -0.666899 C -3.731743 0.376708 0.146607 O -4.588630 1.073981 0.657390 C -2.281530 0.581688 0.318185 C -1.319895 -0.233475 -0.215932 C 0.127010 -0.102298 -0.090449 C 0.960905 -1.063240 -0.719493 C 2.355843 -0.987407 -0.636594 C 2.962902 0.058965 0.099023 O 4.306518 0.199967 0.191929 C 2.148592 1.026974 0.735769 C 0.759986 0.946283 0.635536 H -4.974574 -0.841201 -0.578339 H -2.027462 1.462933 0.928824 H -1.672967 -1.096920 -0.810570 H 0.498384 -1.884173 -1.294345 H 2.992661 -1.733393 -1.143571 H 4.722848 -0.656112 -0.006884 H 2.625544 1.837391 1.304782 H 0.151321 1.715463 1.145026 20 Coordinates from ORCA-job orca E -572.391531667770 O -4.021315 -0.709954 -0.645396 C -3.729482 0.366422 0.147392 O -4.592859 1.050573 0.669890 C -2.276765 0.571769 0.315290 C -1.313997 -0.240767 -0.207800 C 0.131054 -0.108500 -0.080228 C 0.966799 -1.071107 -0.698640 C 2.360497 -0.993608 -0.612729 C 2.963321 0.058026 0.113304 O 4.308650 0.198519 0.217565 C 2.145958 1.027915 0.741621 C 0.759822 0.944657 0.640534 H -5.000482 -0.742183 -0.657824 H -2.033125 1.457101 0.923751 H -1.661297 -1.107036 -0.798627 H 0.503424 -1.894995 -1.265258 H 2.993629 -1.746446 -1.112171 H 4.723013 -0.609929 -0.136186 H 2.628671 1.838751 1.305806 H 0.144484 1.710790 1.139704 20 Coordinates from ORCA-job orca E -572.391754382366 O -4.030235 -0.710602 -0.645640 C -3.722458 0.347770 0.166139 O -4.586056 1.068944 0.643080 C -2.272186 0.560072 0.326965 C -1.314793 -0.251924 -0.195221 C 0.130613 -0.117453 -0.070168 C 0.968339 -1.077125 -0.686431 C 2.360576 -0.996479 -0.601299 C 2.960956 0.058062 0.116153 O 4.306808 0.198439 0.229690 C 2.142713 1.025526 0.742229 C 0.757295 0.936147 0.646210 H -5.009788 -0.692428 -0.706460 H -2.028107 1.447230 0.930766 H -1.663032 -1.117893 -0.783040 H 0.507139 -1.904242 -1.247822 H 2.992815 -1.752465 -1.095329 H 4.732884 -0.560455 -0.212996 H 2.626281 1.839381 1.301615 H 0.140237 1.699495 1.141558 20 Coordinates 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0.251482 C 2.142057 1.019044 0.750145 C 0.756463 0.932502 0.649224 H -5.010120 -0.736508 -0.648342 H -2.025988 1.455778 0.922362 H -1.666760 -1.104194 -0.801827 H 0.507775 -1.894695 -1.264533 H 2.991572 -1.753764 -1.094982 H 4.737589 -0.551359 -0.219712 H 2.625148 1.830244 1.313656 H 0.139563 1.695593 1.145862 20 Coordinates from ORCA-job orca E -572.392039837068 O -4.029237 -0.728022 -0.619452 C -3.718353 0.365581 0.139821 O -4.582282 1.088155 0.615806 C -2.271584 0.571483 0.316533 C -1.316711 -0.243716 -0.206856 C 0.129488 -0.114512 -0.075614 C 0.967516 -1.071610 -0.696096 C 2.359697 -0.996537 -0.602794 C 2.960036 0.051879 0.123259 O 4.303782 0.184236 0.253130 C 2.142093 1.018556 0.751006 C 0.756515 0.931914 0.650179 H -5.009383 -0.736945 -0.647509 H -2.026522 1.455618 0.923682 H -1.666993 -1.104883 -0.800779 H 0.507792 -1.894515 -1.265505 H 2.991228 -1.754307 -1.095381 H 4.738055 -0.547462 -0.224473 H 2.625320 1.829990 1.314033 H 0.139544 1.695096 1.147008 20 Coordinates from 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