H 1.0000000000000000 3.5577000000000010 0.0000000000000000 0.0000000000000000 -1.7788500000000005 3.0810585790438978 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.8125000000000000 H 2 Selective dynamics Cartesian -0.0000000177885003 2.0540390629661269 1.4531250000000000 T T T 1.7788499822115005 1.0270195366181614 4.3593750000000000 T T T