A型インフルエンザウイルスのノイラミニダーゼに結合したザナミビル

A型インフルエンザウイルスのノイラミニダーゼに結合したザナミビル

- 野中 孝昌 の投稿
返信数: 0

\tdplotsetmaincoords{165}{-40}\begin{tikzpicture}[scale=0.8,tdplot_main_coords,rotate=70,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 = 2HTQ;_cell.length_a = 90.400;_cell.length_b = 90.400;_cell.length_c = 109.320;_cell.angle_alpha = 90.00;_cell.angle_beta = 90.00;_cell.angle_gamma = 90.00;_symmetry.space_group_name_H-M = 'I 4';x0=24.281750; y0=-19.418609; z0=-23.121272;}]\coordinate (118CA) at (15.319-x0, -15.256-y0, -23.290-z0);\coordinate (118CB) at (16.600-x0, -15.261-y0, -24.106-z0);\coordinate (118CG) at (17.111-x0, -16.629-y0, -24.417-z0);\coordinate (118CD) at (16.263-x0, -17.331-y0, -25.459-z0);\coordinate (118NE) at (16.235-x0, -18.759-y0, -25.184-z0);\coordinate (118CZ) at (17.309-x0, -19.507-y0, -24.948-z0);\coordinate (118NH1) at (17.166-x0, -20.793-y0, -24.703-z0);\coordinate (118NH2) at (18.525-x0, -18.981-y0, -24.956-z0);\coordinate (151N) at (23.014-x0, -13.730-y0, -27.742-z0);\coordinate (151CA) at (23.186-x0, -14.067-y0, -26.320-z0);\coordinate (151C) at (23.593-x0, -12.850-y0, -25.500-z0);\coordinate (151O) at (23.062-x0, -12.627-y0, -24.409-z0);\coordinate (151CB) at (24.245-x0, -15.154-y0, -26.096-z0);\coordinate (151CG) at (23.702-x0, -16.548-y0, -26.290-z0);\coordinate (151OD1) at (22.694-x0, -16.887-y0, -25.642-z0);\coordinate (151OD2) at (24.288-x0, -17.308-y0, -27.086-z0);\coordinate (152N) at (24.537-x0, -12.067-y0, -26.022-z0);\coordinate (152CA) at (25.013-x0, -10.889-y0, -25.308-z0);\coordinate (152C) at (25.077-x0, -9.599-y0, -26.133-z0);\coordinate (152O) at (25.373-x0, -9.613-y0, -27.328-z0);\coordinate (152CB) at (26.387-x0, -11.188-y0, -24.706-z0);\coordinate (152CG) at (26.379-x0, -12.419-y0, -23.821-z0);\coordinate (152CD) at (27.761-x0, -12.733-y0, -23.259-z0);\coordinate (152NE) at (28.748-x0, -13.071-y0, -24.285-z0);\coordinate (152CZ) at (28.769-x0, -14.203-y0, -24.991-z0);\coordinate (152NH1) at (29.718-x0, -14.391-y0, -25.892-z0);\coordinate (152NH2) at (27.856-x0, -15.149-y0, -24.808-z0);\coordinate (224CA) at (27.900-x0, -15.959-y0, -16.010-z0);\coordinate (224CB) at (27.547-x0, -16.953-y0, -17.121-z0);\coordinate (224CG) at (28.547-x0, -18.089-y0, -17.296-z0);\coordinate (224CD) at (28.450-x0, -18.673-y0, -18.691-z0);\coordinate (224NE) at (29.380-x0, -19.782-y0, -18.901-z0);\coordinate (224CZ) at (30.710-x0, -19.673-y0, -18.903-z0);\coordinate (224NH1) at (31.457-x0, -20.753-y0, -19.100-z0);\coordinate (224NH2) at (31.298-x0, -18.492-y0, -18.720-z0);\coordinate (227CA) at (19.792-x0, -17.695-y0, -15.056-z0);\coordinate (227CB) at (20.149-x0, -18.427-y0, -16.362-z0);\coordinate (227CG) at (21.511-x0, -18.075-y0, -16.958-z0);\coordinate (227CD) at (21.651-x0, -16.599-y0, -17.332-z0);\coordinate (227OE1) at (20.782-x0, -15.793-y0, -16.939-z0);\coordinate (227OE2) at (22.645-x0, -16.246-y0, -18.012-z0);\coordinate (246N) at (33.032-x0, -22.556-y0, -22.802-z0);\coordinate (246CA) at (31.754-x0, -23.266-y0, -22.840-z0);\coordinate (246C) at (32.014-x0, -24.757-y0, -22.938-z0);\coordinate (246O) at (31.097-x0, -25.565-y0, -22.768-z0);\coordinate (246CB) at (30.936-x0, -22.819-y0, -24.039-z0);\coordinate (276CA) at (26.769-x0, -23.713-y0, -15.435-z0);\coordinate (276CB) at (26.985-x0, -23.530-y0, -16.940-z0);\coordinate (276CG) at (28.421-x0, -23.227-y0, -17.336-z0);\coordinate (276CD) at (28.625-x0, -23.183-y0, -18.847-z0);\coordinate (276OE1) at (29.765-x0, -22.901-y0, -19.280-z0);\coordinate (276OE2) at (27.656-x0, -23.430-y0, -19.608-z0);\coordinate (347CA) at (26.970-x0, -29.068-y0, -25.427-z0);\coordinate (347CB) at (26.475-x0, -28.639-y0, -26.811-z0);\coordinate (347CG) at (25.483-x0, -27.494-y0, -26.798-z0);\coordinate (347CD1) at (25.866-x0, -26.201-y0, -26.430-z0);\coordinate (347CD2) at (24.156-x0, -27.702-y0, -27.170-z0);\coordinate (347CE1) at (24.942-x0, -25.153-y0, -26.438-z0);\coordinate (347CE2) at (23.235-x0, -26.664-y0, -27.181-z0);\coordinate (347CZ) at (23.630-x0, -25.397-y0, -26.816-z0);\coordinate (347OH) at (22.696-x0, -24.377-y0, -26.832-z0);\coordinate (371CA) at (14.943-x0, -28.327-y0, -27.937-z0);\coordinate (371CB) at (15.423-x0, -26.878-y0, -27.800-z0);\coordinate (371CG) at (16.909-x0, -26.826-y0, -27.348-z0);\coordinate (371CD) at (17.409-x0, -25.436-y0, -26.984-z0);\coordinate (371NE) at (18.605-x0, -25.473-y0, -26.131-z0);\coordinate (371CZ) at (19.292-x0, -24.391-y0, -25.751-z0);\coordinate (371NH1) at (20.359-x0, -24.513-y0, -24.978-z0);\coordinate (371NH2) at (18.919-x0, -23.181-y0, -26.156-z0);\coordinate (NE) at (22.598-x0, -16.587-y0, -23.031-z0);\coordinate (CZ) at (22.431-x0, -15.672-y0, -22.037-z0);\coordinate (NH1) at (22.583-x0, -16.010-y0, -20.745-z0);\coordinate (NH2) at (22.149-x0, -14.406-y0, -22.360-z0);\coordinate (C1) at (22.077-x0, -21.243-y0, -24.636-z0);\coordinate (O1A) at (22.777-x0, -22.347-y0, -24.934-z0);\coordinate (O1B) at (20.920-x0, -21.088-y0, -24.927-z0);\coordinate (C2) at (22.799-x0, -20.171-y0, -23.896-z0);\coordinate (C3) at (22.176-x0, -19.004-y0, -23.530-z0);\coordinate (C4) at (22.957-x0, -17.971-y0, -22.748-z0);\coordinate (C5) at (24.447-x0, -18.123-y0, -22.841-z0);\coordinate (N5) at (25.108-x0, -17.276-y0, -21.868-z0);\coordinate (C6) at (24.781-x0, -19.647-y0, -22.578-z0);\coordinate (O6) at (24.092-x0, -20.410-y0, -23.608-z0);\coordinate (C7) at (26.279-x0, -20.110-y0, -22.559-z0);\coordinate (O7) at (26.387-x0, -19.701-y0, -23.582-z0);\coordinate (C8) at (26.482-x0, -21.516-y0, -22.295-z0);\coordinate (O8) at (25.926-x0, -21.675-y0, -20.982-z0);\coordinate (C9) at (27.960-x0, -21.949-y0, -22.290-z0);\coordinate (O9) at (28.664-x0, -21.314-y0, -21.224-z0);\coordinate (C10) at (25.818-x0, -16.181-y0, -22.196-z0);\coordinate (O10) at (25.980-x0, -15.782-y0, -23.349-z0);\coordinate (C11) at (26.415-x0, -15.443-y0, -21.018-z0);\draw[line width = lw, gray] (276CA) -- (276CB) -- (276CG) -- (276CD);\foreach \label in {276CG} \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);\draw[line width = lw, green] (276OE1) -- (276CD) -- (276OE2);\draw[line width = lw, gray] (118CA) -- (118CB) -- (118CG) -- (118CD) -- (118NE);\draw[line width = lw, green] (118NE) -- (118CZ) -- (118NH1);\draw[line width = lw, green] (118CZ) -- (118NH2);\draw[line width = lw, gray] (151N) -- (151CA) -- (151CB) -- (151CG);\draw[line width = lw, green] (151OD1) -- (151CG) -- (151OD2);\draw[line width = lw, gray] (151CA) -- (151C);\draw[line width = lw, green] (151O) -- (151C) -- (152N);\draw[line width = lw, gray] (152N) -- (152CA) -- (152C);\draw[line width = lw, green] (152C) -- (152O);\draw[line width = lw, gray] (152CA) -- (152CB) -- (152CG) -- (152CD) -- (152NE);\draw[line width = lw, green] (152NE) -- (152CZ) -- (152NH1);\draw[line width = lw, green] (152CZ) -- (152NH2);\draw[line width = lw, gray] (224CA) -- (224CB) -- (224CG) -- (224CD) -- (224NE);\draw[line width = lw, green] (224NE) -- (224CZ) -- (224NH1);\draw[line width = lw, green] (224CZ) -- (224NH2);\draw[line width = lw, gray] (227CA) -- (227CB) -- (227CG) -- (227CD);\draw[line width = lw, green] (227OE1) -- (227CD) -- (227OE2);\draw[line width = lw, densely dotted, DarkOrange1] (347OH) -- (O1A) -- (371NH1);\draw[line width = lw, densely dotted, DarkOrange1] (118NH2) -- (O1B) node[pos=0.6, left, black] {\Large\sffamily\bfseries C} -- (371NH2);\draw[line width = lw, densely dotted, DarkOrange1] (O8) -- (276OE2) node[pos=0.5, left, black] {\Large\sffamily\bfseries A} -- (O9) -- (224NE);\draw[line width = lw, densely dotted, DarkOrange1] (O10) -- (152NH2) node[pos=0.5, above, black] {\Large\sffamily\bfseries D};;\draw[line width = lw, densely dotted, DarkOrange1] (NH1) -- (227OE2) node[pos=0.7, below, black] {\Large\sffamily\bfseries B};\draw[line width = lw, densely dotted, DarkOrange1] (NH2) -- (151O);\draw[line width = lw, densely dotted, DarkOrange1] (NE) -- (151OD1);\draw[line width = lw, gray] (246N) -- (246CA) -- (246C);\draw[line width = lw, gray] (246CA) -- (246CB);\draw[line width = lw, green] (246C) -- (246O);\draw[line width = lw, gray] (347CA) -- (347CB) -- (347CG);\foreach \label in {276CB, 276CD} \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);\draw[line width = lw, green] (347CG) -- (347CD1) -- (347CE1) -- (347CZ) -- (347CE2) -- (347CD2) -- (347CG);\draw[line width = lw, gray] (347CZ) -- (347OH);\draw[line width = lw, gray] (371CA) -- (371CB) -- (371CG) -- (371CD) -- (371NE);\draw[line width = lw, green] (371NE) -- (371CZ) -- (371NH1);\draw[line width = lw, green] (371CZ) -- (371NH2);\draw[line width = lw, gray] (C1) -- (C2);\draw[line width = lw, gray] (C3) -- (C4) -- (C5) -- (C6) --(O6) -- (C2);\draw[line width = lw, gray] (C4) -- (NE);\draw[line width = lw, gray] (C5) -- (N5);\draw[line width = lw, gray] (C10) -- (C11);\draw[line width = lw, gray] (C6) -- (C7) -- (C8) -- (C9) -- (O9);\draw[line width = lw, gray] (C7) -- (O7);\draw[line width = lw, gray] (C8) -- (O8);\draw[line width = lw, green] (O1A) -- (C1) -- (O1B);\draw[line width = lw, green] (NH1) -- (CZ) -- (NH2);\foreach \label in {NH1} \shade[ball color = blue, opacity=0.5] (\label) circle (vdw*Nvdw);\draw[line width = lw, green] (NE) -- (CZ);\draw[line width = lw, green] (N5) -- (C10) -- (O10);\foreach \labelx /\labely in {C2/C3}{\draw[line width = lw, cyan] (\labelx) to [bend left] (\labely);\draw[line width = lw, cyan] (\labelx) to [bend right] (\labely);}\foreach \label in {276OE1, 276OE2, 151O, 151OD1, 151OD2, 227OE1, 227OE2, 246O, 347OH, O1A, O1B, O6, O7, O8, O9} \shade[ball color = red, opacity=opc] (\label) circle (vdw*Ovdw);\shade[ball color = black, opacity=opc] (224CG) circle (vdw*Cvdw);\draw[fill,white] (224CD) circle(3.85 mm);\foreach \label in {118CB, 118CG, 118CD, 118CZ, 151C, 151CB, 151CG, 152C, 152CB, 152CG, 152CD, 152CZ, 224CB, 224CD, 224CZ, 227CB, 227CG, 227CD, 246C, 246CB, 347CB, 347CG, 347CD1, 347CD2, 347CE1, 347CE2, 347CZ, 371CB, 371CG, 371CD, 371CZ, CZ, C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11} \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);\foreach \label in {276CA, 118CA, 151CA, 152CA, 224CA, 227CA, 246CA, 347CA, 371CA} \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw) node[white]{C$_\upalpha$};\foreach \label in {152O, O10} \shade[ball color = red, opacity=opc] (\label) circle (vdw*Ovdw);\foreach \label in {118NE, 118NH1, 118NH2, 151N, 152N, 152NE, 152NH1, 152NH2, 224NE, 224NH1, 224NH2, 246N, 371NE, 371NH1, 371NH2, NE, NH2, N5} \shade[ball color = blue, opacity=opc] (\label) circle (vdw*Nvdw);\end{tikzpicture}


\tdplotsetmaincoords{165}{-40}
\begin{tikzpicture}[scale=0.8,tdplot_main_coords,rotate=70,
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 = 2HTQ;
_cell.length_a = 90.400;
_cell.length_b = 90.400;
_cell.length_c = 109.320;
_cell.angle_alpha = 90.00;
_cell.angle_beta = 90.00;
_cell.angle_gamma = 90.00;
_symmetry.space_group_name_H-M = 'I 4';
x0=24.281750; y0=-19.418609; z0=-23.121272;
}]
\coordinate (118CA) at (15.319-x0, -15.256-y0, -23.290-z0);
\coordinate (118CB) at (16.600-x0, -15.261-y0, -24.106-z0);
\coordinate (118CG) at (17.111-x0, -16.629-y0, -24.417-z0);
\coordinate (118CD) at (16.263-x0, -17.331-y0, -25.459-z0);
\coordinate (118NE) at (16.235-x0, -18.759-y0, -25.184-z0);
\coordinate (118CZ) at (17.309-x0, -19.507-y0, -24.948-z0);
\coordinate (118NH1) at (17.166-x0, -20.793-y0, -24.703-z0);
\coordinate (118NH2) at (18.525-x0, -18.981-y0, -24.956-z0);
\coordinate (151N) at (23.014-x0, -13.730-y0, -27.742-z0);
\coordinate (151CA) at (23.186-x0, -14.067-y0, -26.320-z0);
\coordinate (151C) at (23.593-x0, -12.850-y0, -25.500-z0);
\coordinate (151O) at (23.062-x0, -12.627-y0, -24.409-z0);
\coordinate (151CB) at (24.245-x0, -15.154-y0, -26.096-z0);
\coordinate (151CG) at (23.702-x0, -16.548-y0, -26.290-z0);
\coordinate (151OD1) at (22.694-x0, -16.887-y0, -25.642-z0);
\coordinate (151OD2) at (24.288-x0, -17.308-y0, -27.086-z0);
\coordinate (152N) at (24.537-x0, -12.067-y0, -26.022-z0);
\coordinate (152CA) at (25.013-x0, -10.889-y0, -25.308-z0);
\coordinate (152C) at (25.077-x0, -9.599-y0, -26.133-z0);
\coordinate (152O) at (25.373-x0, -9.613-y0, -27.328-z0);
\coordinate (152CB) at (26.387-x0, -11.188-y0, -24.706-z0);
\coordinate (152CG) at (26.379-x0, -12.419-y0, -23.821-z0);
\coordinate (152CD) at (27.761-x0, -12.733-y0, -23.259-z0);
\coordinate (152NE) at (28.748-x0, -13.071-y0, -24.285-z0);
\coordinate (152CZ) at (28.769-x0, -14.203-y0, -24.991-z0);
\coordinate (152NH1) at (29.718-x0, -14.391-y0, -25.892-z0);
\coordinate (152NH2) at (27.856-x0, -15.149-y0, -24.808-z0);
\coordinate (224CA) at (27.900-x0, -15.959-y0, -16.010-z0);
\coordinate (224CB) at (27.547-x0, -16.953-y0, -17.121-z0);
\coordinate (224CG) at (28.547-x0, -18.089-y0, -17.296-z0);
\coordinate (224CD) at (28.450-x0, -18.673-y0, -18.691-z0);
\coordinate (224NE) at (29.380-x0, -19.782-y0, -18.901-z0);
\coordinate (224CZ) at (30.710-x0, -19.673-y0, -18.903-z0);
\coordinate (224NH1) at (31.457-x0, -20.753-y0, -19.100-z0);
\coordinate (224NH2) at (31.298-x0, -18.492-y0, -18.720-z0);
\coordinate (227CA) at (19.792-x0, -17.695-y0, -15.056-z0);
\coordinate (227CB) at (20.149-x0, -18.427-y0, -16.362-z0);
\coordinate (227CG) at (21.511-x0, -18.075-y0, -16.958-z0);
\coordinate (227CD) at (21.651-x0, -16.599-y0, -17.332-z0);
\coordinate (227OE1) at (20.782-x0, -15.793-y0, -16.939-z0);
\coordinate (227OE2) at (22.645-x0, -16.246-y0, -18.012-z0);
\coordinate (246N) at (33.032-x0, -22.556-y0, -22.802-z0);
\coordinate (246CA) at (31.754-x0, -23.266-y0, -22.840-z0);
\coordinate (246C) at (32.014-x0, -24.757-y0, -22.938-z0);
\coordinate (246O) at (31.097-x0, -25.565-y0, -22.768-z0);
\coordinate (246CB) at (30.936-x0, -22.819-y0, -24.039-z0);
\coordinate (276CA) at (26.769-x0, -23.713-y0, -15.435-z0);
\coordinate (276CB) at (26.985-x0, -23.530-y0, -16.940-z0);
\coordinate (276CG) at (28.421-x0, -23.227-y0, -17.336-z0);
\coordinate (276CD) at (28.625-x0, -23.183-y0, -18.847-z0);
\coordinate (276OE1) at (29.765-x0, -22.901-y0, -19.280-z0);
\coordinate (276OE2) at (27.656-x0, -23.430-y0, -19.608-z0);
\coordinate (347CA) at (26.970-x0, -29.068-y0, -25.427-z0);
\coordinate (347CB) at (26.475-x0, -28.639-y0, -26.811-z0);
\coordinate (347CG) at (25.483-x0, -27.494-y0, -26.798-z0);
\coordinate (347CD1) at (25.866-x0, -26.201-y0, -26.430-z0);
\coordinate (347CD2) at (24.156-x0, -27.702-y0, -27.170-z0);
\coordinate (347CE1) at (24.942-x0, -25.153-y0, -26.438-z0);
\coordinate (347CE2) at (23.235-x0, -26.664-y0, -27.181-z0);
\coordinate (347CZ) at (23.630-x0, -25.397-y0, -26.816-z0);
\coordinate (347OH) at (22.696-x0, -24.377-y0, -26.832-z0);
\coordinate (371CA) at (14.943-x0, -28.327-y0, -27.937-z0);
\coordinate (371CB) at (15.423-x0, -26.878-y0, -27.800-z0);
\coordinate (371CG) at (16.909-x0, -26.826-y0, -27.348-z0);
\coordinate (371CD) at (17.409-x0, -25.436-y0, -26.984-z0);
\coordinate (371NE) at (18.605-x0, -25.473-y0, -26.131-z0);
\coordinate (371CZ) at (19.292-x0, -24.391-y0, -25.751-z0);
\coordinate (371NH1) at (20.359-x0, -24.513-y0, -24.978-z0);
\coordinate (371NH2) at (18.919-x0, -23.181-y0, -26.156-z0);
\coordinate (NE) at (22.598-x0, -16.587-y0, -23.031-z0);
\coordinate (CZ) at (22.431-x0, -15.672-y0, -22.037-z0);
\coordinate (NH1) at (22.583-x0, -16.010-y0, -20.745-z0);
\coordinate (NH2) at (22.149-x0, -14.406-y0, -22.360-z0);
\coordinate (C1) at (22.077-x0, -21.243-y0, -24.636-z0);
\coordinate (O1A) at (22.777-x0, -22.347-y0, -24.934-z0);
\coordinate (O1B) at (20.920-x0, -21.088-y0, -24.927-z0);
\coordinate (C2) at (22.799-x0, -20.171-y0, -23.896-z0);
\coordinate (C3) at (22.176-x0, -19.004-y0, -23.530-z0);
\coordinate (C4) at (22.957-x0, -17.971-y0, -22.748-z0);
\coordinate (C5) at (24.447-x0, -18.123-y0, -22.841-z0);
\coordinate (N5) at (25.108-x0, -17.276-y0, -21.868-z0);
\coordinate (C6) at (24.781-x0, -19.647-y0, -22.578-z0);
\coordinate (O6) at (24.092-x0, -20.410-y0, -23.608-z0);
\coordinate (C7) at (26.279-x0, -20.110-y0, -22.559-z0);
\coordinate (O7) at (26.387-x0, -19.701-y0, -23.582-z0);
\coordinate (C8) at (26.482-x0, -21.516-y0, -22.295-z0);
\coordinate (O8) at (25.926-x0, -21.675-y0, -20.982-z0);
\coordinate (C9) at (27.960-x0, -21.949-y0, -22.290-z0);
\coordinate (O9) at (28.664-x0, -21.314-y0, -21.224-z0);
\coordinate (C10) at (25.818-x0, -16.181-y0, -22.196-z0);
\coordinate (O10) at (25.980-x0, -15.782-y0, -23.349-z0);
\coordinate (C11) at (26.415-x0, -15.443-y0, -21.018-z0);
\draw[line width = lw, gray] (276CA) -- (276CB) -- (276CG) -- (276CD);
\foreach \label in {276CG}
 \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);
\draw[line width = lw, green] (276OE1) -- (276CD) -- (276OE2);
\draw[line width = lw, gray] (118CA) -- (118CB) -- (118CG) -- (118CD) -- (118NE);
\draw[line width = lw, green] (118NE) -- (118CZ) -- (118NH1);
\draw[line width = lw, green] (118CZ) -- (118NH2);
\draw[line width = lw, gray] (151N) -- (151CA) -- (151CB) -- (151CG);
\draw[line width = lw, green] (151OD1) -- (151CG) -- (151OD2);
\draw[line width = lw, gray] (151CA) -- (151C);
\draw[line width = lw, green] (151O) -- (151C) -- (152N);
\draw[line width = lw, gray] (152N) -- (152CA) -- (152C);
\draw[line width = lw, green] (152C) -- (152O);
\draw[line width = lw, gray] (152CA) -- (152CB) -- (152CG) -- (152CD) -- (152NE);
\draw[line width = lw, green] (152NE) -- (152CZ) -- (152NH1);
\draw[line width = lw, green] (152CZ) -- (152NH2);
\draw[line width = lw, gray] (224CA) -- (224CB) -- (224CG) -- (224CD) -- (224NE);
\draw[line width = lw, green] (224NE) -- (224CZ) -- (224NH1);
\draw[line width = lw, green] (224CZ) -- (224NH2);
\draw[line width = lw, gray] (227CA) -- (227CB) -- (227CG) -- (227CD);
\draw[line width = lw, green] (227OE1) -- (227CD) -- (227OE2);
\draw[line width = lw, densely dotted, DarkOrange1] (347OH) -- (O1A) -- (371NH1);
\draw[line width = lw, densely dotted, DarkOrange1] (118NH2) -- (O1B) node[pos=0.6, left, black] {\Large\sffamily\bfseries C} -- (371NH2);
\draw[line width = lw, densely dotted, DarkOrange1] (O8) -- (276OE2) node[pos=0.5, left, black] {\Large\sffamily\bfseries A} -- (O9) -- (224NE);
\draw[line width = lw, densely dotted, DarkOrange1] (O10) -- (152NH2) node[pos=0.5, above, black] {\Large\sffamily\bfseries D};;
\draw[line width = lw, densely dotted, DarkOrange1] (NH1) -- (227OE2) node[pos=0.7, below, black] {\Large\sffamily\bfseries B};
\draw[line width = lw, densely dotted, DarkOrange1] (NH2) -- (151O);
\draw[line width = lw, densely dotted, DarkOrange1] (NE) -- (151OD1);
\draw[line width = lw, gray] (246N) -- (246CA) -- (246C);
\draw[line width = lw, gray] (246CA) -- (246CB);
\draw[line width = lw, green] (246C) -- (246O);
\draw[line width = lw, gray] (347CA) -- (347CB) -- (347CG);
\foreach \label in {276CB, 276CD}
 \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);
\draw[line width = lw, green] (347CG) -- (347CD1) -- (347CE1) -- (347CZ) -- (347CE2) -- (347CD2) -- (347CG);
\draw[line width = lw, gray] (347CZ) -- (347OH);
\draw[line width = lw, gray] (371CA) -- (371CB) -- (371CG) -- (371CD) -- (371NE);
\draw[line width = lw, green] (371NE) -- (371CZ) -- (371NH1);
\draw[line width = lw, green] (371CZ) -- (371NH2);
\draw[line width = lw, gray] (C1) -- (C2);
\draw[line width = lw, gray] (C3) -- (C4) -- (C5) -- (C6) --(O6) -- (C2);
\draw[line width = lw, gray] (C4) -- (NE);
\draw[line width = lw, gray] (C5) -- (N5);
\draw[line width = lw, gray] (C10) -- (C11);
\draw[line width = lw, gray] (C6) -- (C7) -- (C8) -- (C9) -- (O9);
\draw[line width = lw, gray] (C7) -- (O7);
\draw[line width = lw, gray] (C8) -- (O8);
\draw[line width = lw, green] (O1A) -- (C1) -- (O1B);
\draw[line width = lw, green] (NH1) -- (CZ) -- (NH2);
\foreach \label in {NH1}
 \shade[ball color = blue, opacity=0.5] (\label) circle (vdw*Nvdw);
\draw[line width = lw, green] (NE) -- (CZ);
\draw[line width = lw, green] (N5) -- (C10) -- (O10);
\foreach \labelx /\labely in {C2/C3}{
\draw[line width = lw, cyan] (\labelx) to [bend left] (\labely);
\draw[line width = lw, cyan] (\labelx) to [bend right] (\labely);
}
\foreach \label in {276OE1, 276OE2, 151O, 151OD1, 151OD2, 227OE1, 227OE2, 246O, 347OH, O1A, O1B, O6, O7, O8, O9}
 \shade[ball color = red, opacity=opc] (\label) circle (vdw*Ovdw);
\shade[ball color = black, opacity=opc] (224CG) circle (vdw*Cvdw);
\draw[fill,white] (224CD) circle(3.85 mm);
\foreach \label in {118CB, 118CG, 118CD, 118CZ, 151C, 151CB, 151CG, 152C, 152CB, 152CG, 152CD, 152CZ, 224CB, 224CD, 224CZ, 227CB, 227CG, 227CD, 246C, 246CB, 347CB, 347CG, 347CD1, 347CD2, 347CE1, 347CE2, 347CZ, 371CB, 371CG, 371CD, 371CZ, CZ, C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11}
 \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);
\foreach \label in {276CA, 118CA, 151CA, 152CA, 224CA, 227CA, 246CA, 347CA, 371CA}
 \shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw) node[white]{C$_\upalpha$};
\foreach \label in {152O, O10}
 \shade[ball color = red, opacity=opc] (\label) circle (vdw*Ovdw);
\foreach \label in {118NE, 118NH1, 118NH2, 151N, 152N, 152NE, 152NH1, 152NH2, 224NE, 224NH1, 224NH2, 246N, 371NE, 371NH1, 371NH2, NE, NH2, N5}
 \shade[ball color = blue, opacity=opc] (\label) circle (vdw*Nvdw);
\end{tikzpicture}