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 0.54780306 0.48761496 0.48142802 # 1 Sn 0.36880350 0.50457263 0.45805045 # 2 N1 0.61969644 0.39460691 0.40520486 # 3 N2 0.60430377 0.45717254 0.60686036 # 4 N3 0.58923683 0.61783731 0.41946048 # 5 C1 0.58018569 0.69569770 0.48644763 # 6 C2 0.67483992 0.71390190 0.52466670 # 7 C3 0.73680592 0.64341282 0.48216794 # 8 C4 0.68903577 0.61822073 0.39557421 # 9 C5 0.52773259 0.62536350 0.33880766 # 10 C6 0.33269620 0.57864868 0.51072282 # 11 C7 0.30775469 0.42888897 0.46821704 # 12 C8 0.59330581 0.52387379 0.67667246 # 13 C9 0.58762408 0.36774251 0.64131306 # 14 C10 0.70922343 0.36129904 0.42181258 # 15 C11 0.58790237 0.37259331 0.31649049 # 16 C12 0.55561324 0.75432712 0.44920596 # 17 H1 0.53028292 0.68305508 0.53875631 # 18 H2 0.69619420 0.78144878 0.50558764 # 19 H3 0.67664517 0.71144691 0.59795336 # 20 H4 0.80492835 0.66853222 0.47123064 # 21 H5 0.74213874 0.58418563 0.52556523 # 22 H6 0.71328574 0.55607127 0.36506076 # 23 H7 0.69888705 0.67168913 0.34513737 # 24 H8 0.54133272 0.68934104 0.30473818 # 25 H9 0.45703179 0.62247302 0.35795330 # 26 H10 0.53939327 0.57124657 0.29058639 # 27 H11 0.31983613 0.56415930 0.58189255 # 28 H12 0.26557317 0.59636013 0.48398464 # 29 H13 0.37366618 0.63949414 0.50694547 # 30 H14 0.24084467 0.44849729 0.44218478 # 31 H15 0.29440200 0.40917145 0.53823404 # 32 H16 0.32894792 0.36949349 0.43035325 # 33 H17 0.52564122 0.52427788 0.70660416 # 34 H18 0.60723692 0.59092599 0.65052899 # 35 H19 0.64127554 0.51115360 0.73139757 # 36 H20 0.59764620 0.31753424 0.58863506 # 37 H21 0.51936686 0.35975235 0.66907509 # 38 H22 0.63473613 0.35250331 0.69623457 # 39 H23 0.75790897 0.39854718 0.37932168 # 40 H24 0.71766794 0.28903572 0.40460707 # 41 H25 0.72874863 0.36885188 0.49233543 # 42 H26 0.51617960 0.38537197 0.30998949 # 43 H27 0.59555166 0.30101206 0.29888421 # 44 H28 0.62359349 0.41330702 0.26631142 # 45 H29 0.46066289 0.34686263 0.44549005 # 46 H30 0.47432559 0.26600326 0.49666238 # 47 H31 0.46596339 0.28304366 0.43478898 # 48 O