No title 1 15.000000 0.000000 0.000000 0.000000 15.000000 0.000000 0.000000 0.000000 15.000000 Sn N C H O 1 3 9 27 1 Direct configuration= 1 0.54494121 0.53676735 0.51273636 0.55412607 0.66957029 0.42277883 0.41182348 0.50125414 0.52270037 0.59381695 0.42146096 0.45509119 0.62036162 0.73695387 0.44577746 0.55723429 0.65698715 0.32740878 0.60925783 0.56771952 0.64267591 0.70730768 0.59324072 0.63480730 0.59367232 0.49217065 0.70921619 0.38833945 0.41097883 0.55044873 0.34901125 0.56688462 0.55715811 0.68674702 0.39558011 0.46400305 0.55411562 0.38869369 0.37301083 0.61750259 0.74959686 0.51676530 0.68852470 0.71639953 0.42603767 0.60733773 0.79984149 0.40853394 0.54547844 0.71943195 0.28910338 0.50455592 0.60974085 0.30953677 0.62162962 0.63052148 0.30354560 0.36683416 0.71662169 0.38769055 0.47477341 0.71384291 0.42450537 0.74905586 0.53690858 0.61343231 0.71849353 0.64830930 0.58788152 0.73250433 0.61488192 0.70054101 0.61971431 0.51147725 0.77547302 0.62843442 0.43073617 0.68944620 0.52266493 0.47619824 0.71754292 0.57050694 0.62643751 0.66349148 0.43778574 0.36267096 0.52661832 0.38263624 0.40353574 0.62408250 0.32256624 0.39235268 0.52231101 0.28128040 0.55240188 0.53166149 0.36694999 0.63436246 0.53496426 0.34436965 0.56655959 0.63112763 0.71414407 0.41808194 0.52804481 0.69234316 0.32191217 0.46230778 0.73007271 0.42155182 0.41004878 0.58847184 0.41284105 0.31213674 0.48373769 0.40860913 0.36889580 0.55659278 0.31489075 0.37129874 0.39955660 0.75059180 0.43213806