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-2.724859 0.098271 H -0.200512 -1.495240 1.379420 H -2.608445 -2.374839 -0.012998 22 Coordinates from ORCA-job orca E -387.460280017294 C -2.449462 -0.245890 0.168706 C -1.488406 0.889737 0.381353 C -0.232767 0.766684 -0.538035 C 0.762823 1.843459 -0.179561 C 2.059479 1.600374 0.115023 C 2.597026 0.238558 0.088859 C 1.812931 -0.814414 -0.233108 C 0.346520 -0.696656 -0.571932 C -0.474623 -1.684481 0.315587 C -1.955313 -1.500457 0.135971 H -3.525952 -0.045412 0.043225 H -1.968950 1.875952 0.220062 H -1.137631 0.887283 1.439949 H -0.600671 0.996076 -1.562768 H 0.372707 2.875073 -0.147562 H 2.732379 2.431219 0.379359 H 3.658987 0.082470 0.335503 H 2.233357 -1.834538 -0.241286 H 0.224236 -1.072003 -1.612240 H -0.156501 -2.724600 0.100073 H -0.201658 -1.493551 1.379913 H -2.608511 -2.374881 -0.017091