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 2 4 16 3 Direct configuration= 1 0.50782929 0.49994370 0.52326559 0.58894608 0.58878044 0.42001834 0.55316274 0.52533938 0.64625447 0.67943589 0.55667146 0.41042974 0.54657578 0.60825746 0.33585506 0.62405491 0.58946145 0.65997868 0.53860358 0.46717563 0.71954561 0.70961188 0.54216408 0.47478140 0.68418853 0.49726405 0.36921710 0.72071053 0.60776617 0.37985466 0.58274638 0.66241097 0.30428425 0.47755639 0.62936300 0.34525686 0.54624322 0.55252489 0.28953975 0.45152135 0.36129947 0.48522380 0.37264267 0.59265577 0.54437464 0.29313182 0.37880088 0.43085664 0.35553798 0.47809040 0.46728972 0.63316159 0.63072816 0.60209461 0.60836581 0.63278190 0.71544178 0.68842108 0.55859393 0.67513942 0.59920663 0.43058917 0.73698278 0.48549314 0.41921155 0.70506770 0.51896234 0.50505902 0.77786578 0.50438418 0.37877452 0.49554771 0.39496005 0.55493097 0.49768844 0.31960169 0.38969479 0.48847339