中性条件下のトリプタミン

中性条件下のトリプタミン

by 孝昌 野中 -
Number of replies: 0

\tdplotsetmaincoords{90+6}{-10}\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 = Tryptamine_234485;_cell.length_a = 6.510;_cell.length_b = 15.401;_cell.length_c = 14.876;_cell.angle_alpha = 90.00;_cell.angle_beta = 98.83;_cell.angle_gamma = 90.00;_symmetry.space_group_name_H-M = 'P 1 21 1';x0=3.917480; y0=9.740200; z0=8.106640;}]\coordinate (C2) at (2.120-x0,9.768-y0,7.448-z0);\coordinate (C3) at (3.347-x0,9.185-y0,7.600-z0);\coordinate (C4) at (3.782-x0,9.529-y0,8.949-z0);\coordinate (C5) at (2.732-x0,10.294-y0,9.526-z0);\coordinate (C6) at (2.792-x0,10.759-y0,10.838-z0);\coordinate (C7) at (3.951-x0,10.459-y0,11.551-z0);\coordinate (C8) at (4.990-x0,9.717-y0,11.001-z0);\coordinate (C9) at (4.926-x0,9.236-y0,9.693-z0);\coordinate (C10) at (4.075-x0,8.388-y0,6.588-z0);\coordinate (C11) at (5.224-x0,9.136-y0,5.921-z0);\coordinate (N1) at (1.741-x0,10.424-y0,8.579-z0);\coordinate (N12) at (4.754-x0,10.348-y0,5.186-z0);\coordinate (H1) at (1.003-x0,10.850-y0,8.685-z0);\coordinate (H2) at (1.609-x0,9.721-y0,6.674-z0);\coordinate (H6) at (2.095-x0,11.245-y0,11.217-z0);\coordinate (H7) at (4.033-x0,10.766-y0,12.426-z0);\coordinate (H8) at (5.743-x0,9.537-y0,11.517-z0);\coordinate (H9) at (5.621-x0,8.737-y0,9.330-z0);\coordinate (H10C) at (3.448-x0,8.104-y0,5.905-z0);\coordinate (H10D) at (4.427-x0,7.590-y0,7.013-z0);\coordinate (H11C) at (5.865-x0,9.403-y0,6.599-z0);\coordinate (H11D) at (5.675-x0,8.542-y0,5.302-z0);\coordinate (H12D) at (5.451-x0,10.755-y0,4.810-z0);\coordinate (H12E) at (4.357-x0,10.906-y0,5.754-z0);\coordinate (H12F) at (4.176-x0,10.106-y0,4.554-z0);\foreach \labelx /\labely in {N1/H1, C2/H2, C6/H6, C7/H7, C8/H8, C9/H9, C10/H10C, C10/H10D, C11/H11C, C11/H11D, N12/H12D, N12/H12E, N12/H12F} \draw[line width = lw, Pink1] (\labelx) -- (\labely);\draw[line width = lw, gray] (C3) -- (C10) -- (C11) -- (N12);\draw[line width = lw, green] (C5) -- (N1) -- (C2) -- (C3) -- (C4) -- (C9) -- (C8) -- (C7) -- (C6) -- (C5) -- (C4);\foreach \label in {H1, H2, H6, H7, H8, H9, H10C, H10D, H11C, H11D, H12D, H12E, H12F} \shade[ball color = white, opacity=opc] (\label) circle (vdw*Hvdw);\foreach \label in {C2, C3, C4, C5, C6, C7, C8, C9, C10, C11} \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);\foreach \label in {N1, N12} \shade[ball color = blue, opacity=opc] (\label) circle (vdw*Nvdw);\end{tikzpicture}

\tdplotsetmaincoords{90+6}{-10}
\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 = Tryptamine_234485;
_cell.length_a = 6.510;
_cell.length_b = 15.401;
_cell.length_c = 14.876;
_cell.angle_alpha = 90.00;
_cell.angle_beta = 98.83;
_cell.angle_gamma = 90.00;
_symmetry.space_group_name_H-M = 'P 1 21 1';
x0=3.917480; y0=9.740200; z0=8.106640;
}]
\coordinate (C2) at (2.120-x0,9.768-y0,7.448-z0);
\coordinate (C3) at (3.347-x0,9.185-y0,7.600-z0);
\coordinate (C4) at (3.782-x0,9.529-y0,8.949-z0);
\coordinate (C5) at (2.732-x0,10.294-y0,9.526-z0);
\coordinate (C6) at (2.792-x0,10.759-y0,10.838-z0);
\coordinate (C7) at (3.951-x0,10.459-y0,11.551-z0);
\coordinate (C8) at (4.990-x0,9.717-y0,11.001-z0);
\coordinate (C9) at (4.926-x0,9.236-y0,9.693-z0);
\coordinate (C10) at (4.075-x0,8.388-y0,6.588-z0);
\coordinate (C11) at (5.224-x0,9.136-y0,5.921-z0);
\coordinate (N1) at (1.741-x0,10.424-y0,8.579-z0);
\coordinate (N12) at (4.754-x0,10.348-y0,5.186-z0);
\coordinate (H1) at (1.003-x0,10.850-y0,8.685-z0);
\coordinate (H2) at (1.609-x0,9.721-y0,6.674-z0);
\coordinate (H6) at (2.095-x0,11.245-y0,11.217-z0);
\coordinate (H7) at (4.033-x0,10.766-y0,12.426-z0);
\coordinate (H8) at (5.743-x0,9.537-y0,11.517-z0);
\coordinate (H9) at (5.621-x0,8.737-y0,9.330-z0);
\coordinate (H10C) at (3.448-x0,8.104-y0,5.905-z0);
\coordinate (H10D) at (4.427-x0,7.590-y0,7.013-z0);
\coordinate (H11C) at (5.865-x0,9.403-y0,6.599-z0);
\coordinate (H11D) at (5.675-x0,8.542-y0,5.302-z0);
\coordinate (H12D) at (5.451-x0,10.755-y0,4.810-z0);
\coordinate (H12E) at (4.357-x0,10.906-y0,5.754-z0);
\coordinate (H12F) at (4.176-x0,10.106-y0,4.554-z0);
\foreach \labelx /\labely in {N1/H1, C2/H2, C6/H6, C7/H7, C8/H8, C9/H9, C10/H10C, C10/H10D, C11/H11C, C11/H11D, N12/H12D, N12/H12E, N12/H12F}
 \draw[line width = lw, Pink1] (\labelx) -- (\labely);
\draw[line width = lw, gray] (C3) -- (C10) -- (C11) -- (N12);
\draw[line width = lw, green] (C5) -- (N1) -- (C2) -- (C3) -- (C4) -- (C9) -- (C8) -- (C7) -- (C6) -- (C5) -- (C4);
\foreach \label in {H1, H2, H6, H7, H8, H9, H10C, H10D, H11C, H11D, H12D, H12E, H12F}
 \shade[ball color = white, opacity=opc] (\label) circle (vdw*Hvdw);
\foreach \label in {C2, C3, C4, C5, C6, C7, C8, C9, C10, C11}
 \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);
\foreach \label in {N1, N12}
 \shade[ball color = blue, opacity=opc] (\label) circle (vdw*Nvdw);
\end{tikzpicture}