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 0.58506832 0.46211640 0.48043015 # 1 Sn 0.30345082 0.52796966 0.45179075 # 2 N1 0.65025295 0.35624650 0.42344724 # 3 N2 0.62210597 0.45040963 0.61278484 # 4 N3 0.59928906 0.59421342 0.41099857 # 5 C1 0.58765406 0.67653742 0.47232312 # 6 C2 0.68173695 0.70200188 0.50761765 # 7 C3 0.74734226 0.63598182 0.46325621 # 8 C4 0.69721693 0.60269440 0.38075723 # 9 C5 0.53270236 0.59179510 0.33391042 # 10 C6 0.30094559 0.59959770 0.51716687 # 11 C7 0.22794411 0.46709932 0.46058198 # 12 C8 0.60248783 0.52145457 0.67603395 # 13 C9 0.60633562 0.36278783 0.65181498 # 14 C10 0.74458200 0.34280624 0.43975921 # 15 C11 0.62372435 0.33403979 0.33286930 # 16 C12 0.56091481 0.73144414 0.43093336 # 17 H1 0.53863902 0.66652729 0.52591863 # 18 H2 0.69788389 0.77104011 0.48868478 # 19 H3 0.68601760 0.69926697 0.58076277 # 20 H4 0.81194793 0.66676128 0.44712138 # 21 H5 0.76134579 0.57958771 0.50840449 # 22 H6 0.72537606 0.54145510 0.35174711 # 23 H7 0.69986072 0.65414313 0.32767831 # 24 H8 0.53912418 0.65390911 0.29458744 # 25 H9 0.46311675 0.58687235 0.35665620 # 26 H10 0.54532062 0.53561675 0.28839516 # 27 H11 0.29729729 0.57683792 0.58726616 # 28 H12 0.24030920 0.63797615 0.50390508 # 29 H13 0.35801422 0.64492108 0.51003984 # 30 H14 0.16611640 0.50457186 0.44650866 # 31 H15 0.22167131 0.43868338 0.52888308 # 32 H16 0.23422831 0.41210810 0.41222635 # 33 H17 0.53251038 0.52085570 0.70038775 # 34 H18 0.61579401 0.58729527 0.64668826 # 35 H19 0.64592227 0.51472178 0.73540508 # 36 H20 0.62060859 0.31002443 0.60285001 # 37 H21 0.53692201 0.35385045 0.67613813 # 38 H22 0.65104819 0.35277151 0.70966348 # 39 H23 0.78818421 0.38111851 0.39356694 # 40 H24 0.76093314 0.27128701 0.43138403 # 41 H25 0.76121067 0.36209239 0.50865726 # 42 H26 0.55182465 0.34572567 0.32380483 # 43 H27 0.63641452 0.26255715 0.32011743 # 44 H28 0.66038872 0.37246291 0.28114047 # 45 H29 0.36063984 0.49348827 0.45846064 # 46 H30 0.45979652 0.35181148 0.48656204 # 47 H31 0.46023736 0.41108593 0.46004515 # 48 O