No title 1.0 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 Sn N C H O 1 3 12 31 1 Direct 0.53552175 0.49512152 0.48133848 # 1 Sn 0.38990401 0.49666880 0.46465441 # 2 N1 0.60008211 0.39637399 0.40417328 # 3 N2 0.59744462 0.45956902 0.60367347 # 4 N3 0.58507930 0.62393236 0.42337052 # 5 C1 0.57747479 0.70160790 0.49118358 # 6 C2 0.67223524 0.71766721 0.53014099 # 7 C3 0.73279036 0.64572573 0.48825533 # 8 C4 0.68560839 0.62272591 0.40076835 # 9 C5 0.52637976 0.63608282 0.34098172 # 10 C6 0.34286181 0.57090780 0.50785439 # 11 C7 0.33338094 0.41712165 0.47125354 # 12 C8 0.59003373 0.52446169 0.67593172 # 13 C9 0.58078531 0.36971511 0.63746277 # 14 C10 0.69241374 0.36606262 0.41703987 # 15 C11 0.57257795 0.38341319 0.31184718 # 16 C12 0.55409155 0.76131446 0.45501914 # 17 H1 0.52757138 0.68894100 0.54340118 # 18 H2 0.69540135 0.78463226 0.51112511 # 19 H3 0.67339733 0.71534518 0.60343823 # 20 H4 0.80184356 0.66894435 0.47886897 # 21 H5 0.73546301 0.58598167 0.53104883 # 22 H6 0.70956839 0.56089246 0.36937218 # 23 H7 0.69768099 0.67690776 0.35154763 # 24 H8 0.54224746 0.70060995 0.30904587 # 25 H9 0.45511803 0.63515322 0.35799978 # 26 H10 0.53749861 0.58306873 0.29139969 # 27 H11 0.32723660 0.55848844 0.57878535 # 28 H12 0.27665152 0.58085164 0.47627541 # 29 H13 0.37822568 0.63509141 0.50332767 # 30 H14 0.26726705 0.43083293 0.44063313 # 31 H15 0.31757106 0.39891821 0.54101868 # 32 H16 0.36138131 0.35840607 0.43720110 # 33 H17 0.52346945 0.52529802 0.70838235 # 34 H18 0.60452979 0.59208496 0.65165681 # 35 H19 0.63935600 0.50967149 0.72905311 # 36 H20 0.58966149 0.31993008 0.58423157 # 37 H21 0.51318144 0.36141350 0.66666917 # 38 H22 0.62892637 0.35298299 0.69118031 # 39 H23 0.73957932 0.40524036 0.37528489 # 40 H24 0.70193422 0.29524343 0.39628072 # 41 H25 0.71489195 0.37077029 0.48669230 # 42 H26 0.50104474 0.39770856 0.30503259 # 43 H27 0.58155063 0.31310249 0.29033279 # 44 H28 0.61049481 0.42669079 0.26539866 # 45 H29 0.50766393 0.31361926 0.43531281 # 46 H30 0.48741668 0.23462798 0.49392912 # 47 H31 0.48596885 0.25070139 0.43125803 # 48 O