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 0.53685958 0.49712950 0.48038908 0.39674048 0.49303665 0.46638221 0.59090346 0.39304581 0.40335785 0.59447755 0.46074389 0.60294731 0.58337794 0.62756247 0.42533621 0.57596574 0.70470891 0.49406177 0.67067427 0.71983507 0.53343589 0.73044438 0.64717776 0.49184099 0.68402525 0.62582037 0.40356322 0.52564539 0.64217702 0.34253510 0.34662213 0.56619149 0.50631275 0.34637452 0.41021300 0.47321293 0.58843030 0.52487903 0.67575455 0.57704999 0.37075771 0.63547222 0.68494618 0.36747738 0.41328379 0.56411737 0.38856868 0.30963425 0.55323209 0.76504827 0.45852089 0.52587478 0.69220913 0.54611557 0.69487675 0.78644985 0.51446036 0.67147410 0.71766417 0.60674013 0.79997952 0.66915831 0.48349350 0.73147679 0.58712588 0.53426123 0.70755788 0.56399552 0.37182925 0.69730541 0.68032650 0.35520591 0.54277393 0.70706147 0.31194415 0.45410819 0.64257173 0.35838248 0.53639016 0.59013846 0.29188033 0.33081519 0.55489608 0.57742810 0.28150326 0.57296199 0.47245143 0.38071946 0.63100899 0.50068941 0.28118699 0.41880911 0.43973171 0.33061795 0.39236984 0.54306254 0.38030489 0.35338034 0.44144731 0.52229928 0.52576798 0.70915258 0.60298006 0.59276172 0.65228549 0.63823905 0.50903950 0.72805471 0.58484391 0.32152722 0.58163935 0.50957665 0.36262509 0.66502601 0.62549488 0.35294321 0.68845828 0.73013287 0.40944535 0.37240539 0.69567193 0.29783772 0.39068406 0.70764948 0.37158601 0.48284497 0.49294143 0.40488814 0.30340797 0.57308421 0.31993502 0.28371430 0.60320024 0.43418168 0.26643256 0.52546412 0.29831421 0.43110243 0.49478238 0.21905662 0.49099765 0.49924600 0.23621274 0.42876259