\tdplotsetmaincoords{115}{180}
\begin{tikzpicture}[scale=1,tdplot_main_coords,rotate=90,
declare function = {
opc=0.9;
Cvdw=1.70 cm; Nvdw=1.55 cm; Ovdw=1.52 cm; Hvdw=1.20 cm; Bvdw=1.92 cm; Clvdw=1.75 cm; Fvdw=1.47 cm; Svdw=1.80 cm; Pvdw=1.80cm; Brvdw=1.85 cm; Ivdw=1.98 cm; Ptvdw=1.75 cm; Mgvdw=0.86 cm;
vdw=1/5; lw=3;
_cell.entry_id = Leucine___126986;
_cell.length_a = 9.562;
_cell.length_b = 5.301;
_cell.length_c = 14.519;
_cell.angle_alpha = 90.00;
_cell.angle_beta = 94.20;
_cell.angle_gamma = 90.00;
_symmetry.space_group_name_H-M = 'P 21';
x0=0.674955; y0=3.229545; z0=3.892045;
}]
\coordinate(C1) at (2.111-x0,2.641-y0,5.548-z0);
\coordinate(N1) at (0.627-x0,4.500-y0,6.195-z0);
\coordinate(O1) at (3.040-x0,3.355-y0,6.007-z0);
\coordinate(C2) at (0.767-x0,3.325-y0,5.284-z0);
\coordinate(O2) at (2.222-x0,1.426-y0,5.256-z0);
\coordinate(C3) at (0.661-x0,3.843-y0,3.842-z0);
\coordinate(C4) at (0.703-x0,2.784-y0,2.741-z0);
\coordinate(C5) at (-0.504-x0,1.855-y0,2.818-z0);
\coordinate(C6) at (0.730-x0,3.477-y0,1.377-z0);
\coordinate(H1) at (1.161-x0,5.144-y0,5.905-z0);
\coordinate(H2) at (-0.139-x0,4.774-y0,6.154-z0);
\coordinate(H3) at (0.807-x0,4.269-y0,6.992-z0);
\coordinate(H4) at (0.060-x0,2.708-y0,5.452-z0);
\coordinate(H5) at (-0.192-x0,4.350-y0,3.755-z0);
\coordinate(H6) at (1.405-x0,4.486-y0,3.687-z0);
\coordinate(H7) at (1.478-x0,2.279-y0,2.838-z0);
\coordinate(H8) at (-0.414-x0,1.141-y0,2.143-z0);
\coordinate(H9) at (-1.328-x0,2.371-y0,2.643-z0);
\coordinate(H10) at (-0.553-x0,1.453-y0,3.718-z0);
\coordinate(H11) at (1.496-x0,4.061-y0,1.328-z0);
\coordinate(H12) at (-0.076-x0,3.995-y0,1.263-z0);
\coordinate(H13) at (0.787-x0,2.813-y0,0.679-z0);
\foreach \labelx /\labely in {C2/H4, C3/H5, C3/H6, C4/H7, C5/H8, C5/H9, C5/H10, C6/H11, C6/H12, C6/H13, N1/H1, N1/H2, N1/H3}
\draw[line width = lw, Pink1] (\labelx) -- (\labely);
\draw[line width = lw, gray] (C1) -- (C2) -- (C3) -- (C4) -- (C5);
\draw[line width = lw, gray] (C4) --(C6);
\draw[line width = lw, gray] (C2) -- (N1);
\draw[line width = lw, green] (O1) -- (C1) -- (O2);
\foreach \label in {O1, O2}
\shade[ball color = red, opacity=opc] (\label) circle (vdw*Ovdw);
\foreach \label in {H1, H2, H3, H4, H5, H6, H7, H8, H9, H10, H11, H12, H13}
\shade[ball color = white, opacity=opc] (\label) circle (vdw*Hvdw);
\foreach \label in {C1, C2, C3, C4, C5, C6}
\shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);
\foreach \label in {N1}
\shade[ball color = blue, opacity=opc] (\label) circle (vdw*Nvdw);
\end{tikzpicture}