強塩基性条件下のチラミン

強塩基性条件下のチラミン

- 野中 孝昌 の投稿
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\tdplotsetmaincoords{30}{0}\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 = Tyramine884596;_cell.length_a = 5.546;_cell.length_b = 8.996;_cell.length_c = 14.886;_cell.angle_alpha = 86.06;_cell.angle_beta = 89.93;_cell.angle_gamma = 81.54;_symmetry.space_group_name_H-M = P-1;x0=1.974174; y0=7.457000; z0=2.511565;}]\coordinate (C1) at (2.374-x0, 5.724-y0,1.678-z0);\coordinate (N1) at (1.296-x0,12.093-y0,1.765-z0);\coordinate (O1) at (2.366-x0, 4.398-y0,1.371-z0);\coordinate (C2) at (3.427-x0, 6.509-y0,1.229-z0);\coordinate (N2) at (2.131-x0,-7.121-y0,9.088-z0);\coordinate (O2) at (1.021-x0, 0.586-y0,8.880-z0);\coordinate (C3) at (3.445-x0, 7.868-y0,1.495-z0);\coordinate (C4) at (2.426-x0, 8.489-y0,2.211-z0);\coordinate (C5) at (1.400-x0, 7.677-y0,2.682-z0);\coordinate (C6) at (1.367-x0, 6.317-y0,2.427-z0);\coordinate (C7) at (2.381-x0, 9.981-y0,2.415-z0);\coordinate (C8) at (1.384-x0,10.654-y0,1.489-z0);\coordinate (H2) at (4.130-x0, 6.117-y0,0.744-z0);\coordinate (H3) at (4.166-x0, 8.385-y0,1.184-z0);\coordinate (H5) at (0.708-x0, 8.063-y0,3.188-z0);\coordinate (H6) at (0.661-x0, 5.795-y0,2.762-z0);\coordinate (H1N) at (0.682-x0,12.455-y0,1.239-z0);\coordinate (H2N) at (0.976-x0,12.201-y0,2.578-z0);\coordinate (H3O) at (1.495-x0, 4.034-y0,1.577-z0);\coordinate (H7A) at (3.273-x0,10.354-y0,2.254-z0);\coordinate (H7B) at (2.138-x0,10.171-y0,3.344-z0);\coordinate (H8A) at (1.658-x0,10.517-y0,0.558-z0);\coordinate (H8B) at (0.501-x0,10.244-y0,1.608-z0);\foreach \labelx /\labely in {N1/H1N, N1/H2N, C2/H2, C3/H3, C5/H5, C6/H6, C7/H7A, C7/H7B, C8/H8A, C8/H8B} \draw[line width = lw, Pink1] (\labelx) -- (\labely);\draw[line width = lw, gray] (O1) -- (C1);\draw[line width = lw, gray] (C4) -- (C7) -- (C8) -- (N1);\draw[line width = lw, green] (C1) -- (C2) -- (C3) -- (C4) -- (C5) -- (C6) -- (C1);\foreach \label in {O1} \shade[ball color = red, opacity=opc] (\label) circle (vdw*Ovdw);\foreach \label in {H2, H3, H5, H6, H7A, H7B, H8A, H8B, H1N, H2N} \shade[ball color = white, opacity=opc] (\label) circle (vdw*Hvdw);\foreach \label in {C1, C2, C3, C4, C5, C6, C7, C8} \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}

\tdplotsetmaincoords{30}{0}
\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 = Tyramine884596;
_cell.length_a = 5.546;
_cell.length_b = 8.996;
_cell.length_c = 14.886;
_cell.angle_alpha = 86.06;
_cell.angle_beta = 89.93;
_cell.angle_gamma = 81.54;
_symmetry.space_group_name_H-M = P-1;
x0=1.974174; y0=7.457000; z0=2.511565;
}]
\coordinate (C1) at (2.374-x0, 5.724-y0,1.678-z0);
\coordinate (N1) at (1.296-x0,12.093-y0,1.765-z0);
\coordinate (O1) at (2.366-x0, 4.398-y0,1.371-z0);
\coordinate (C2) at (3.427-x0, 6.509-y0,1.229-z0);
\coordinate (N2) at (2.131-x0,-7.121-y0,9.088-z0);
\coordinate (O2) at (1.021-x0, 0.586-y0,8.880-z0);
\coordinate (C3) at (3.445-x0, 7.868-y0,1.495-z0);
\coordinate (C4) at (2.426-x0, 8.489-y0,2.211-z0);
\coordinate (C5) at (1.400-x0, 7.677-y0,2.682-z0);
\coordinate (C6) at (1.367-x0, 6.317-y0,2.427-z0);
\coordinate (C7) at (2.381-x0, 9.981-y0,2.415-z0);
\coordinate (C8) at (1.384-x0,10.654-y0,1.489-z0);
\coordinate (H2) at (4.130-x0, 6.117-y0,0.744-z0);
\coordinate (H3) at (4.166-x0, 8.385-y0,1.184-z0);
\coordinate (H5) at (0.708-x0, 8.063-y0,3.188-z0);
\coordinate (H6) at (0.661-x0, 5.795-y0,2.762-z0);
\coordinate (H1N) at (0.682-x0,12.455-y0,1.239-z0);
\coordinate (H2N) at (0.976-x0,12.201-y0,2.578-z0);
\coordinate (H3O) at (1.495-x0, 4.034-y0,1.577-z0);
\coordinate (H7A) at (3.273-x0,10.354-y0,2.254-z0);
\coordinate (H7B) at (2.138-x0,10.171-y0,3.344-z0);
\coordinate (H8A) at (1.658-x0,10.517-y0,0.558-z0);
\coordinate (H8B) at (0.501-x0,10.244-y0,1.608-z0);
%\foreach \labelx /\labely in {N1/H1N, N1/H2N, O1/H3O, C2/H2, C3/H3, C5/H5, C6/H6, C7/H7A, C7/H7B, C8/H8A, C8/H8B}
\foreach \labelx /\labely in {N1/H1N, N1/H2N, C2/H2, C3/H3, C5/H5, C6/H6, C7/H7A, C7/H7B, C8/H8A, C8/H8B}
 \draw[line width = lw, Pink1] (\labelx) -- (\labely);
\draw[line width = lw, gray] (O1) -- (C1);
\draw[line width = lw, gray] (C4) -- (C7) -- (C8) -- (N1);
\draw[line width = lw, green] (C1) -- (C2) -- (C3) -- (C4) -- (C5) -- (C6) -- (C1);
\foreach \label in {O1}
 \shade[ball color = red, opacity=opc] (\label) circle (vdw*Ovdw);
%\foreach \label in {H3O, H2, H3, H5, H6, H7A, H7B, H8A, H8B, H1N, H2N}
\foreach \label in {H2, H3, H5, H6, H7A, H7B, H8A, H8B, H1N, H2N}
 \shade[ball color = white, opacity=opc] (\label) circle (vdw*Hvdw);
\foreach \label in {C1, C2, C3, C4, C5, C6, C7, C8}
 \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}