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 6 21 2 Direct configuration= 1 0.54620057 0.51956232 0.50640239 0.59455706 0.62533754 0.43654241 0.58511896 0.51623008 0.63666892 0.59505895 0.38347842 0.43712055 0.68854664 0.64264753 0.42987466 0.54715254 0.64870990 0.35515670 0.63480144 0.58904714 0.67527912 0.52515875 0.47765514 0.69973839 0.62099102 0.39000004 0.34489679 0.54748851 0.30195580 0.45623712 0.72338666 0.62372101 0.49134630 0.72055424 0.60810058 0.37355705 0.69934217 0.71413201 0.41951572 0.55389525 0.72034695 0.34213826 0.47639319 0.63415282 0.36195550 0.57205059 0.61389398 0.29533735 0.38673985 0.56809041 0.54458926 0.30613343 0.40117876 0.41039936 0.35620598 0.43463060 0.46807690 0.68125953 0.61541914 0.62762978 0.59406528 0.64420607 0.69980100 0.67327842 0.56585572 0.73236351 0.56283318 0.45041985 0.75576700 0.48723649 0.42370420 0.66895234 0.47804026 0.52545421 0.72835106 0.65603043 0.45233723 0.33281915 0.66771150 0.33582799 0.32929367 0.56465178 0.38542958 0.29724897 0.48486324 0.29489981 0.41805371 0.53129800 0.29801191 0.52701927 0.59056470 0.24454647 0.44093274 0.41205267 0.53303989 0.49786182 0.32764696 0.38819710 0.45999472