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 1 5 17 3 Direct 0.49288695 0.47719593 0.54165728 # 1 Sn 0.54260973 0.56909205 0.39243566 # 2 N1 0.63022993 0.60891609 0.39950428 # 3 C1 0.51677183 0.56213912 0.30469951 # 4 C2 0.53885166 0.50562565 0.67448662 # 5 C 0.63310553 0.54036915 0.67515774 # 6 C3 0.52576421 0.42300401 0.73164447 # 7 C4 0.64828822 0.61200247 0.46444271 # 8 H1 0.68308023 0.57686774 0.36441930 # 9 H2 0.62919310 0.67265159 0.37536966 # 10 H3 0.51187699 0.62554021 0.27729348 # 11 H4 0.45138843 0.53036512 0.30115009 # 12 H5 0.56471137 0.52740984 0.26522093 # 13 H6 0.53391979 0.33335741 0.46509890 # 14 H7 0.45584402 0.61266021 0.45515436 # 15 H8 0.33252652 0.46757570 0.51870114 # 16 H10 0.43894365 0.61067297 0.43198652 # 17 H11 0.67911915 0.49063372 0.64950689 # 18 H12 0.64107912 0.60190613 0.63678307 # 19 H13 0.65329858 0.55549106 0.74289955 # 20 H14 0.54402193 0.43855092 0.79985831 # 21 H15 0.56744324 0.36773235 0.71001519 # 22 H16 0.45742778 0.39923838 0.73175735 # 23 H17 0.49419722 0.55857482 0.69563657 # 24 H 0.56274900 0.38157996 0.48800986 # 25 O1 0.40786082 0.61783508 0.50092096 # 26 O2 0.37208432 0.42848190 0.53812623 # 27 O4