低分子化合物

$\tdplotsetmaincoords{40}{0}\begin{tikzpicture}[scale=1,tdplot_main_coords,rotate=-37,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 = High_pH_1176642;_cell.length_a = 7.249;_cell.length_b = 7.634;_cell.length_c = 5.698;_cell.angle_alpha = 90.00;_cell.angle_beta = 104.96;_cell.angle_gamma = 90.00;_symmetry.space_group_name_H-M = 'P 21';x0=-0.787471; y0=-2.909471; z0=-2.545882;}]\coordinate (C1) at ( 0.357-x0,-1.702-y0,-0.238-z0);\coordinate (N1) at (-0.599-x0,-1.802-y0,-1.186-z0);\coordinate (C2) at ( 1.192-x0,-2.824-y0,-1.834-z0);\coordinate (N2) at ( 1.461-x0,-2.298-y0,-0.586-z0);\coordinate (C3) at (-0.072-x0,-2.522-y0,-2.220-z0);\coordinate (N3) at (-2.642-x0,-4.322-y0,-4.402-z0);\coordinate (C4) at (-0.838-x0,-2.880-y0,-3.438-z0);\coordinate (C5) at (-2.023-x0,-3.805-y0,-3.199-z0);\coordinate (H1) at (-1.421-x0,-1.351-y0,-1.167-z0);\coordinate (H2) at ( 0.212-x0,-1.214-y0, 0.589-z0);\coordinate (H3) at ( 1.830-x0,-3.252-y0,-2.318-z0);\coordinate (H4) at (-0.244-x0,-3.298-y0,-4.162-z0);\coordinate (H5) at (-1.181-x0,-2.061-y0,-3.881-z0);\coordinate (H6) at (-1.747-x0,-4.458-y0,-2.659-z0);\coordinate (H7) at (-2.691-x0,-3.290-y0,-2.681-z0);\coordinate (H8) at (-2.999-x0,-3.626-y0,-4.971-z0);\coordinate (H9) at (-1.982-x0,-4.756-y0,-4.927-z0);\foreach \labelx /\labely in {N1/H1, C1/H2, C2/H3, C4/H4, C4/H5, C5/H6, C5/H7, N3/H8, N3/H9} \draw[line width = lw, Pink1] (\labelx) -- (\labely);\draw[line width = lw, gray] (N3) -- (C5) -- (C4) -- (C3);\draw[line width = lw, green] (C1) -- (N2) -- (C2) -- (C3) -- (N1) -- (C1);\foreach \label in {H1, H2, H3, H4, H5, H7, H8, H9} \shade[ball color = white, opacity=opc] (\label) circle (vdw*Hvdw);\foreach \label in {C1, C2, C3, C4, C5} \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);\foreach \label in {N1, N2, N3} \shade[ball color = blue, opacity=opc] (\label) circle (vdw*Nvdw);\shade[ball color = white, opacity=opc] (H6) circle (vdw*Hvdw);\end{tikzpicture}$

\tdplotsetmaincoords{40}{0}
\begin{tikzpicture}[scale=1,tdplot_main_coords,rotate=-37,
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 = High_pH_1176642;
_cell.length_a = 7.249;
_cell.length_b = 7.634;
_cell.length_c = 5.698;
_cell.angle_alpha = 90.00;
_cell.angle_beta = 104.96;
_cell.angle_gamma = 90.00;
_symmetry.space_group_name_H-M = 'P 21';
x0=-0.787471; y0=-2.909471; z0=-2.545882;
}]
\coordinate (C1) at ( 0.357-x0,-1.702-y0,-0.238-z0);
\coordinate (N1) at (-0.599-x0,-1.802-y0,-1.186-z0);
\coordinate (C2) at ( 1.192-x0,-2.824-y0,-1.834-z0);
\coordinate (N2) at ( 1.461-x0,-2.298-y0,-0.586-z0);
\coordinate (C3) at (-0.072-x0,-2.522-y0,-2.220-z0);
\coordinate (N3) at (-2.642-x0,-4.322-y0,-4.402-z0);
\coordinate (C4) at (-0.838-x0,-2.880-y0,-3.438-z0);
\coordinate (C5) at (-2.023-x0,-3.805-y0,-3.199-z0);
\coordinate (H1) at (-1.421-x0,-1.351-y0,-1.167-z0);
\coordinate (H2) at ( 0.212-x0,-1.214-y0, 0.589-z0);
\coordinate (H3) at ( 1.830-x0,-3.252-y0,-2.318-z0);
\coordinate (H4) at (-0.244-x0,-3.298-y0,-4.162-z0);
\coordinate (H5) at (-1.181-x0,-2.061-y0,-3.881-z0);
\coordinate (H6) at (-1.747-x0,-4.458-y0,-2.659-z0);
\coordinate (H7) at (-2.691-x0,-3.290-y0,-2.681-z0);
\coordinate (H8) at (-2.999-x0,-3.626-y0,-4.971-z0);
\coordinate (H9) at (-1.982-x0,-4.756-y0,-4.927-z0);
\foreach \labelx /\labely in {N1/H1, C1/H2, C2/H3, C4/H4, C4/H5, C5/H6, C5/H7, N3/H8, N3/H9}
 \draw[line width = lw, Pink1] (\labelx) -- (\labely);
\draw[line width = lw, gray] (N3) -- (C5) -- (C4) -- (C3);
\draw[line width = lw, green] (C1) -- (N2) -- (C2) -- (C3) -- (N1) -- (C1);
\foreach \label in {H1, H2, H3, H4, H5, H7, H8, H9}
 \shade[ball color = white, opacity=opc] (\label) circle (vdw*Hvdw);
\foreach \label in {C1, C2, C3, C4, C5}
 \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);
\foreach \label in {N1, N2, N3}
 \shade[ball color = blue, opacity=opc] (\label) circle (vdw*Nvdw);
\shade[ball color = white, opacity=opc] (H6) circle (vdw*Hvdw);
\end{tikzpicture}