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 12 31 1 Direct configuration= 1 0.57078349 0.46435323 0.47899744 0.33726906 0.50627369 0.45630893 0.63896122 0.36466629 0.41643130 0.61344350 0.45250043 0.61022793 0.59413953 0.60315088 0.41429952 0.58433646 0.68377229 0.47826616 0.67881755 0.70674416 0.51458247 0.74299885 0.63875303 0.47121393 0.69339447 0.60823301 0.38730818 0.52981656 0.60546877 0.33557852 0.31953319 0.58484391 0.51194401 0.25981247 0.44853510 0.46206069 0.59838328 0.52251292 0.67612634 0.59841148 0.36419465 0.64798672 0.73253157 0.34876247 0.43176592 0.61001968 0.34780365 0.32550529 0.55856181 0.74037302 0.43843828 0.53487593 0.67310608 0.53122304 0.69712154 0.77528754 0.49553866 0.68219661 0.70428990 0.58781576 0.80911113 0.66739532 0.45691971 0.75374971 0.58132099 0.51592243 0.72033221 0.54703939 0.35724952 0.69871888 0.66069446 0.33521672 0.53969702 0.66853303 0.29834350 0.45969325 0.60110648 0.35704605 0.54269636 0.55021068 0.28900588 0.30824414 0.57110846 0.58367240 0.25437091 0.61602092 0.49357716 0.36641011 0.64178014 0.50933938 0.19635197 0.48238038 0.44444800 0.25055212 0.42606009 0.53198676 0.26906514 0.39012627 0.41841400 0.52954300 0.52264241 0.70322024 0.61213813 0.58883883 0.64807816 0.64419105 0.51307037 0.73338301 0.61118046 0.31269922 0.59716958 0.52954188 0.35583203 0.67360021 0.64465466 0.35261494 0.70432133 0.77645152 0.38873205 0.38711581 0.74646193 0.27708911 0.41993955 0.74888950 0.36442008 0.50183585 0.53819331 0.36106178 0.31896464 0.62024409 0.27677281 0.30905946 0.64626764 0.38884162 0.27569421 0.38850793 0.45930990 0.46375088 0.46580848 0.32722776 0.48520297 0.45598359 0.38406805 0.45603628