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 0.56223136 0.47625194 0.47958228 # 1 Sn 0.34942853 0.51098712 0.45674095 # 2 N1 0.63119960 0.37640525 0.41191640 # 3 N2 0.60943549 0.45445425 0.60908489 # 4 N3 0.59278577 0.61142220 0.41596326 # 5 C1 0.58261632 0.68966930 0.48193689 # 6 C2 0.67710205 0.71024289 0.51936724 # 7 C3 0.74036843 0.64113880 0.47635367 # 8 C4 0.69194891 0.61360650 0.39078439 # 9 C5 0.52901043 0.61496663 0.33703044 # 10 C6 0.32222783 0.58566888 0.51234814 # 11 C7 0.28253424 0.44095564 0.46558365 # 12 C8 0.59602344 0.52311924 0.67657960 # 13 C9 0.59369718 0.36565726 0.64499956 # 14 C10 0.72360893 0.35482342 0.42637939 # 15 C11 0.60131946 0.35930386 0.32122201 # 16 C12 0.55703256 0.74738384 0.44369582 # 17 H1 0.53277621 0.67734953 0.53437959 # 18 H2 0.69679548 0.77830767 0.50027398 # 19 H3 0.67962784 0.70770953 0.59263762 # 20 H4 0.80748417 0.66805818 0.46380017 # 21 H5 0.74836375 0.58262952 0.52035827 # 22 H6 0.71702913 0.55145560 0.36084259 # 23 H7 0.69976425 0.66631867 0.33922596 # 24 H8 0.54028397 0.67840099 0.30095166 # 25 H9 0.45883423 0.61071197 0.35801132 # 26 H10 0.54126734 0.56006918 0.28986720 # 27 H11 0.31260866 0.56912787 0.58354940 # 28 H12 0.25550611 0.61099501 0.49093925 # 29 H13 0.36906563 0.64231660 0.50906794 # 30 H14 0.21576027 0.46582013 0.44387892 # 31 H15 0.27152608 0.41863312 0.53528928 # 32 H16 0.29786895 0.38179961 0.42401576 # 33 H17 0.52769465 0.52336055 0.70478870 # 34 H18 0.60975391 0.58968389 0.64916159 # 35 H19 0.64288036 0.51224129 0.73264847 # 36 H20 0.60510936 0.31495021 0.59306255 # 37 H21 0.52496335 0.35777595 0.67153826 # 38 H22 0.64011182 0.35222400 0.70082272 # 39 H23 0.76994294 0.39389667 0.38286129 # 40 H24 0.73493360 0.28256466 0.41216499 # 41 H25 0.74069163 0.36640030 0.49709412 # 42 H26 0.52982674 0.37259087 0.31427634 # 43 H27 0.60908422 0.28792423 0.30322996 # 44 H28 0.63696365 0.40034929 0.27122515 # 45 H29 0.42000280 0.38595388 0.45585331 # 46 H30 0.46214669 0.29998322 0.49371941 # 47 H31 0.46122006 0.33496337 0.44102840 # 48 O