//Povray V3.1 code generated by OpenBabel
//Author: Steffen Reith <streit@streit.cc>
//Version: $Id: dioxin.inc 184 2002-11-27 21:24:05Z ghutchis $
//Date: Wed Nov 27 14:40:44 CST 2002
//Include header for povray
#include "babel31.inc"
//Use PovRay3.1
#version 3.1;
//Print name of molecule while rendering
#render "\b\b dioxin\n\n"
//Coodinates of atoms 1 - 22
#declare dioxin_pos_1 = <-1.8614,3.1206,0.2896>;
#declare dioxin_pos_2 = <-2.8297,2.2803,-0.282>;
#declare dioxin_pos_3 = <-2.5291,0.9443,-0.5726>;
#declare dioxin_pos_4 = <-1.2509,0.4622,-0.2845>;
#declare dioxin_pos_5 = <-0.2823,1.3027,0.2875>;
#declare dioxin_pos_6 = <-0.5805,2.6354,0.5781>;
#declare dioxin_pos_7 = <1.007,0.8738,0.5955>;
#declare dioxin_pos_8 = <1.2508,-0.4623,0.285>;
#declare dioxin_pos_9 = <0.2824,-1.3026,-0.2874>;
#declare dioxin_pos_10 = <-1.0073,-0.8741,-0.5944>;
#declare dioxin_pos_11 = <0.5806,-2.6351,-0.5786>;
#declare dioxin_pos_12 = <1.8616,-3.1204,-0.2904>;
#declare dioxin_pos_13 = <2.8299,-2.2802,0.2818>;
#declare dioxin_pos_14 = <2.529,-0.9445,0.573>;
#declare dioxin_pos_15 = <-2.2109,4.7396,0.6469>;
#declare dioxin_pos_16 = <-4.3845,2.8531,-0.6361>;
#declare dioxin_pos_17 = <2.2111,-4.7393,-0.648>;
#declare dioxin_pos_18 = <4.3844,-2.8534,0.6362>;
#declare dioxin_pos_19 = <-3.2789,0.2742,-1.0208>;
#declare dioxin_pos_20 = <0.1885,3.2833,1.0267>;
#declare dioxin_pos_21 = <-0.1883,-3.2829,-1.0274>;
#declare dioxin_pos_22 = <3.2787,-0.2745,1.0219>;
//Povray-description of atoms 1 - 22
#declare dioxin_atom1 = object {
Atom_Car
translate dioxin_pos_1
}
#declare dioxin_atom2 = object {
Atom_Car
translate dioxin_pos_2
}
#declare dioxin_atom3 = object {
Atom_Car
translate dioxin_pos_3
}
#declare dioxin_atom4 = object {
Atom_Car
translate dioxin_pos_4
}
#declare dioxin_atom5 = object {
Atom_Car
translate dioxin_pos_5
}
#declare dioxin_atom6 = object {
Atom_Car
translate dioxin_pos_6
}
#declare dioxin_atom7 = object {
Atom_O2
translate dioxin_pos_7
}
#declare dioxin_atom8 = object {
Atom_Car
translate dioxin_pos_8
}
#declare dioxin_atom9 = object {
Atom_Car
translate dioxin_pos_9
}
#declare dioxin_atom10 = object {
Atom_O2
translate dioxin_pos_10
}
#declare dioxin_atom11 = object {
Atom_Car
translate dioxin_pos_11
}
#declare dioxin_atom12 = object {
Atom_Car
translate dioxin_pos_12
}
#declare dioxin_atom13 = object {
Atom_Car
translate dioxin_pos_13
}
#declare dioxin_atom14 = object {
Atom_Car
translate dioxin_pos_14
}
#declare dioxin_atom15 = object {
Atom_Cl
translate dioxin_pos_15
}
#declare dioxin_atom16 = object {
Atom_Cl
translate dioxin_pos_16
}
#declare dioxin_atom17 = object {
Atom_Cl
translate dioxin_pos_17
}
#declare dioxin_atom18 = object {
Atom_Cl
translate dioxin_pos_18
}
#declare dioxin_atom19 = object {
Atom_HC
translate dioxin_pos_19
}
#declare dioxin_atom20 = object {
Atom_HC
translate dioxin_pos_20
}
#declare dioxin_atom21 = object {
Atom_HC
translate dioxin_pos_21
}
#declare dioxin_atom22 = object {
Atom_HC
translate dioxin_pos_22
}
//Povray-description of bonds 1 - 24
#if (BAS)
#declare dioxin_bond0 = object {
bond_2
scale <1.40372,1.0000,1.0000>
rotate <0.0000,0.0000,-36.7713>
rotate <0.0000,149.446,0.0000>
translate dioxin_pos_1
}
#declare dioxin_bond1 = object {
bond_1
scale <1.39977,1.0000,1.0000>
rotate <0.0000,0.0000,-20.2812>
rotate <0.0000,-12.693,0.0000>
translate dioxin_pos_1
}
#declare dioxin_bond2 = object {
bond_1
scale <1.6944,1.0000,1.0000>
rotate <0.0000,0.0000,72.8436>
rotate <0.0000,-134.368,0.0000>
translate dioxin_pos_1
}
#declare dioxin_bond3 = object {
bond_1
scale <1.39989,1.0000,1.0000>
rotate <0.0000,0.0000,-72.6225>
rotate <0.0000,44.0309,0.0000>
translate dioxin_pos_2
}
#declare dioxin_bond4 = object {
bond_1
scale <1.69437,1.0000,1.0000>
rotate <0.0000,0.0000,19.7588>
rotate <0.0000,167.17,0.0000>
translate dioxin_pos_2
}
#declare dioxin_bond5 = object {
bond_2
scale <1.39614,1.0000,1.0000>
rotate <0.0000,0.0000,-20.2006>
rotate <0.0000,-12.7019,0.0000>
translate dioxin_pos_3
}
#declare dioxin_bond6 = object {
bond_1
scale <1.10096,1.0000,1.0000>
rotate <0.0000,0.0000,-37.4919>
rotate <0.0000,149.131,0.0000>
translate dioxin_pos_3
}
#declare dioxin_bond7 = object {
bond_1
scale <1.40421,1.0000,1.0000>
rotate <0.0000,0.0000,36.7666>
rotate <0.0000,-30.5637,0.0000>
translate dioxin_pos_4
}
#declare dioxin_bond8 = object {
bond_1
scale <1.39323,1.0000,1.0000>
rotate <0.0000,0.0000,-73.565>
rotate <0.0000,51.8305,0.0000>
translate dioxin_pos_4
}
#declare dioxin_bond9 = object {
bond_2
scale <1.39623,1.0000,1.0000>
rotate <0.0000,0.0000,72.6495>
rotate <0.0000,-135.74,0.0000>
translate dioxin_pos_5
}
#declare dioxin_bond10 = object {
bond_1
scale <1.39324,1.0000,1.0000>
rotate <0.0000,0.0000,-17.9293>
rotate <0.0000,-13.4356,0.0000>
translate dioxin_pos_5
}
#declare dioxin_bond11 = object {
bond_1
scale <1.10108,1.0000,1.0000>
rotate <0.0000,0.0000,36.0451>
rotate <0.0000,-30.2574,0.0000>
translate dioxin_pos_6
}
#declare dioxin_bond12 = object {
bond_1
scale <1.3932,1.0000,1.0000>
rotate <0.0000,0.0000,-73.5392>
rotate <0.0000,51.8615,0.0000>
translate dioxin_pos_7
}
#declare dioxin_bond13 = object {
bond_2
scale <1.40412,1.0000,1.0000>
rotate <0.0000,0.0000,-36.7593>
rotate <0.0000,149.414,0.0000>
translate dioxin_pos_8
}
#declare dioxin_bond14 = object {
bond_1
scale <1.39616,1.0000,1.0000>
rotate <0.0000,0.0000,-20.2048>
rotate <0.0000,-12.6977,0.0000>
translate dioxin_pos_8
}
#declare dioxin_bond15 = object {
bond_1
scale <1.39327,1.0000,1.0000>
rotate <0.0000,0.0000,17.9117>
rotate <0.0000,166.611,0.0000>
translate dioxin_pos_9
}
#declare dioxin_bond16 = object {
bond_1
scale <1.39616,1.0000,1.0000>
rotate <0.0000,0.0000,-72.6306>
rotate <0.0000,44.3196,0.0000>
translate dioxin_pos_9
}
#declare dioxin_bond17 = object {
bond_2
scale <1.39983,1.0000,1.0000>
rotate <0.0000,0.0000,-20.2846>
rotate <0.0000,-12.6793,0.0000>
translate dioxin_pos_11
}
#declare dioxin_bond18 = object {
bond_1
scale <1.10103,1.0000,1.0000>
rotate <0.0000,0.0000,-36.0405>
rotate <0.0000,149.728,0.0000>
translate dioxin_pos_11
}
#declare dioxin_bond19 = object {
bond_1
scale <1.40391,1.0000,1.0000>
rotate <0.0000,0.0000,36.7606>
rotate <0.0000,-30.5802,0.0000>
translate dioxin_pos_12
}
#declare dioxin_bond20 = object {
bond_1
scale <1.69436,1.0000,1.0000>
rotate <0.0000,0.0000,-72.8357>
rotate <0.0000,45.6563,0.0000>
translate dioxin_pos_12
}
#declare dioxin_bond21 = object {
bond_2
scale <1.3998,1.0000,1.0000>
rotate <0.0000,0.0000,72.5941>
rotate <0.0000,-135.939,0.0000>
translate dioxin_pos_13
}
#declare dioxin_bond22 = object {
bond_1
scale <1.69429,1.0000,1.0000>
rotate <0.0000,0.0000,-19.7741>
rotate <0.0000,-12.843,0.0000>
translate dioxin_pos_13
}
#declare dioxin_bond23 = object {
bond_1
scale <1.10112,1.0000,1.0000>
rotate <0.0000,0.0000,37.4791>
rotate <0.0000,-30.912,0.0000>
translate dioxin_pos_14
}
#end //(BAS-Bonds)
#if (CST)
#declare dioxin_bond0 = object {
union {
object {
bond_2
pigment{color Color_Car}
scale <0.701861,1.0000,1.0000>
rotate <0.0000,0.0000,-36.7713>
rotate <0.0000,149.446,0.0000>
translate dioxin_pos_1
}
object {
bond_2
pigment{color Color_Car}
scale <0.701861,1.0000,1.0000>
rotate <0.0000,0.0000,143.229>
rotate <0.0000,149.446,0.0000>
translate dioxin_pos_2
}
}
}
#declare dioxin_bond1 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.699885,1.0000,1.0000>
rotate <0.0000,0.0000,-20.2812>
rotate <0.0000,-12.693,0.0000>
translate dioxin_pos_1
}
object {
bond_1
pigment{color Color_Car}
scale <0.699885,1.0000,1.0000>
rotate <0.0000,0.0000,159.719>
rotate <0.0000,-12.693,0.0000>
translate dioxin_pos_6
}
}
}
#declare dioxin_bond2 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.847198,1.0000,1.0000>
rotate <0.0000,0.0000,72.8436>
rotate <0.0000,-134.368,0.0000>
translate dioxin_pos_1
}
object {
bond_1
pigment{color Color_Cl}
scale <0.847198,1.0000,1.0000>
rotate <0.0000,0.0000,252.844>
rotate <0.0000,-134.368,0.0000>
translate dioxin_pos_15
}
}
}
#declare dioxin_bond3 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.699947,1.0000,1.0000>
rotate <0.0000,0.0000,-72.6225>
rotate <0.0000,44.0309,0.0000>
translate dioxin_pos_2
}
object {
bond_1
pigment{color Color_Car}
scale <0.699947,1.0000,1.0000>
rotate <0.0000,0.0000,107.378>
rotate <0.0000,44.0309,0.0000>
translate dioxin_pos_3
}
}
}
#declare dioxin_bond4 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.847185,1.0000,1.0000>
rotate <0.0000,0.0000,19.7588>
rotate <0.0000,167.17,0.0000>
translate dioxin_pos_2
}
object {
bond_1
pigment{color Color_Cl}
scale <0.847185,1.0000,1.0000>
rotate <0.0000,0.0000,199.759>
rotate <0.0000,167.17,0.0000>
translate dioxin_pos_16
}
}
}
#declare dioxin_bond5 = object {
union {
object {
bond_2
pigment{color Color_Car}
scale <0.698072,1.0000,1.0000>
rotate <0.0000,0.0000,-20.2006>
rotate <0.0000,-12.7019,0.0000>
translate dioxin_pos_3
}
object {
bond_2
pigment{color Color_Car}
scale <0.698072,1.0000,1.0000>
rotate <0.0000,0.0000,159.799>
rotate <0.0000,-12.7019,0.0000>
translate dioxin_pos_4
}
}
}
#declare dioxin_bond6 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.550481,1.0000,1.0000>
rotate <0.0000,0.0000,-37.4919>
rotate <0.0000,149.131,0.0000>
translate dioxin_pos_3
}
object {
bond_1
pigment{color Color_HC}
scale <0.550481,1.0000,1.0000>
rotate <0.0000,0.0000,142.508>
rotate <0.0000,149.131,0.0000>
translate dioxin_pos_19
}
}
}
#declare dioxin_bond7 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.702106,1.0000,1.0000>
rotate <0.0000,0.0000,36.7666>
rotate <0.0000,-30.5637,0.0000>
translate dioxin_pos_4
}
object {
bond_1
pigment{color Color_Car}
scale <0.702106,1.0000,1.0000>
rotate <0.0000,0.0000,216.767>
rotate <0.0000,-30.5637,0.0000>
translate dioxin_pos_5
}
}
}
#declare dioxin_bond8 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.696613,1.0000,1.0000>
rotate <0.0000,0.0000,-73.565>
rotate <0.0000,51.8305,0.0000>
translate dioxin_pos_4
}
object {
bond_1
pigment{color Color_O2}
scale <0.696613,1.0000,1.0000>
rotate <0.0000,0.0000,106.435>
rotate <0.0000,51.8305,0.0000>
translate dioxin_pos_10
}
}
}
#declare dioxin_bond9 = object {
union {
object {
bond_2
pigment{color Color_Car}
scale <0.698115,1.0000,1.0000>
rotate <0.0000,0.0000,72.6495>
rotate <0.0000,-135.74,0.0000>
translate dioxin_pos_5
}
object {
bond_2
pigment{color Color_Car}
scale <0.698115,1.0000,1.0000>
rotate <0.0000,0.0000,252.649>
rotate <0.0000,-135.74,0.0000>
translate dioxin_pos_6
}
}
}
#declare dioxin_bond10 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.696619,1.0000,1.0000>
rotate <0.0000,0.0000,-17.9293>
rotate <0.0000,-13.4356,0.0000>
translate dioxin_pos_5
}
object {
bond_1
pigment{color Color_O2}
scale <0.696619,1.0000,1.0000>
rotate <0.0000,0.0000,162.071>
rotate <0.0000,-13.4356,0.0000>
translate dioxin_pos_7
}
}
}
#declare dioxin_bond11 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.55054,1.0000,1.0000>
rotate <0.0000,0.0000,36.0451>
rotate <0.0000,-30.2574,0.0000>
translate dioxin_pos_6
}
object {
bond_1
pigment{color Color_HC}
scale <0.55054,1.0000,1.0000>
rotate <0.0000,0.0000,216.045>
rotate <0.0000,-30.2574,0.0000>
translate dioxin_pos_20
}
}
}
#declare dioxin_bond12 = object {
union {
object {
bond_1
pigment{color Color_O2}
scale <0.696601,1.0000,1.0000>
rotate <0.0000,0.0000,-73.5392>
rotate <0.0000,51.8615,0.0000>
translate dioxin_pos_7
}
object {
bond_1
pigment{color Color_Car}
scale <0.696601,1.0000,1.0000>
rotate <0.0000,0.0000,106.461>
rotate <0.0000,51.8615,0.0000>
translate dioxin_pos_8
}
}
}
#declare dioxin_bond13 = object {
union {
object {
bond_2
pigment{color Color_Car}
scale <0.702058,1.0000,1.0000>
rotate <0.0000,0.0000,-36.7593>
rotate <0.0000,149.414,0.0000>
translate dioxin_pos_8
}
object {
bond_2
pigment{color Color_Car}
scale <0.702058,1.0000,1.0000>
rotate <0.0000,0.0000,143.241>
rotate <0.0000,149.414,0.0000>
translate dioxin_pos_9
}
}
}
#declare dioxin_bond14 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.698079,1.0000,1.0000>
rotate <0.0000,0.0000,-20.2048>
rotate <0.0000,-12.6977,0.0000>
translate dioxin_pos_8
}
object {
bond_1
pigment{color Color_Car}
scale <0.698079,1.0000,1.0000>
rotate <0.0000,0.0000,159.795>
rotate <0.0000,-12.6977,0.0000>
translate dioxin_pos_14
}
}
}
#declare dioxin_bond15 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.696633,1.0000,1.0000>
rotate <0.0000,0.0000,17.9117>
rotate <0.0000,166.611,0.0000>
translate dioxin_pos_9
}
object {
bond_1
pigment{color Color_O2}
scale <0.696633,1.0000,1.0000>
rotate <0.0000,0.0000,197.912>
rotate <0.0000,166.611,0.0000>
translate dioxin_pos_10
}
}
}
#declare dioxin_bond16 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.698082,1.0000,1.0000>
rotate <0.0000,0.0000,-72.6306>
rotate <0.0000,44.3196,0.0000>
translate dioxin_pos_9
}
object {
bond_1
pigment{color Color_Car}
scale <0.698082,1.0000,1.0000>
rotate <0.0000,0.0000,107.369>
rotate <0.0000,44.3196,0.0000>
translate dioxin_pos_11
}
}
}
#declare dioxin_bond17 = object {
union {
object {
bond_2
pigment{color Color_Car}
scale <0.699917,1.0000,1.0000>
rotate <0.0000,0.0000,-20.2846>
rotate <0.0000,-12.6793,0.0000>
translate dioxin_pos_11
}
object {
bond_2
pigment{color Color_Car}
scale <0.699917,1.0000,1.0000>
rotate <0.0000,0.0000,159.715>
rotate <0.0000,-12.6793,0.0000>
translate dioxin_pos_12
}
}
}
#declare dioxin_bond18 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.550517,1.0000,1.0000>
rotate <0.0000,0.0000,-36.0405>
rotate <0.0000,149.728,0.0000>
translate dioxin_pos_11
}
object {
bond_1
pigment{color Color_HC}
scale <0.550517,1.0000,1.0000>
rotate <0.0000,0.0000,143.96>
rotate <0.0000,149.728,0.0000>
translate dioxin_pos_21
}
}
}
#declare dioxin_bond19 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.701953,1.0000,1.0000>
rotate <0.0000,0.0000,36.7606>
rotate <0.0000,-30.5802,0.0000>
translate dioxin_pos_12
}
object {
bond_1
pigment{color Color_Car}
scale <0.701953,1.0000,1.0000>
rotate <0.0000,0.0000,216.761>
rotate <0.0000,-30.5802,0.0000>
translate dioxin_pos_13
}
}
}
#declare dioxin_bond20 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.847181,1.0000,1.0000>
rotate <0.0000,0.0000,-72.8357>
rotate <0.0000,45.6563,0.0000>
translate dioxin_pos_12
}
object {
bond_1
pigment{color Color_Cl}
scale <0.847181,1.0000,1.0000>
rotate <0.0000,0.0000,107.164>
rotate <0.0000,45.6563,0.0000>
translate dioxin_pos_17
}
}
}
#declare dioxin_bond21 = object {
union {
object {
bond_2
pigment{color Color_Car}
scale <0.699899,1.0000,1.0000>
rotate <0.0000,0.0000,72.5941>
rotate <0.0000,-135.939,0.0000>
translate dioxin_pos_13
}
object {
bond_2
pigment{color Color_Car}
scale <0.699899,1.0000,1.0000>
rotate <0.0000,0.0000,252.594>
rotate <0.0000,-135.939,0.0000>
translate dioxin_pos_14
}
}
}
#declare dioxin_bond22 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.847146,1.0000,1.0000>
rotate <0.0000,0.0000,-19.7741>
rotate <0.0000,-12.843,0.0000>
translate dioxin_pos_13
}
object {
bond_1
pigment{color Color_Cl}
scale <0.847146,1.0000,1.0000>
rotate <0.0000,0.0000,160.226>
rotate <0.0000,-12.843,0.0000>
translate dioxin_pos_18
}
}
}
#declare dioxin_bond23 = object {
union {
object {
bond_1
pigment{color Color_Car}
scale <0.550559,1.0000,1.0000>
rotate <0.0000,0.0000,37.4791>
rotate <0.0000,-30.912,0.0000>
translate dioxin_pos_14
}
object {
bond_1
pigment{color Color_HC}
scale <0.550559,1.0000,1.0000>
rotate <0.0000,0.0000,217.479>
rotate <0.0000,-30.912,0.0000>
translate dioxin_pos_22
}
}
}
#end // (CST-Bonds)
//All atoms of molecule dioxin
#ifdef (TRANS)
#declare dioxin_atoms = merge {
#else
#declare dioxin_atoms = union {
#end //(End of TRANS)
object{dioxin_atom1}
object{dioxin_atom2}
object{dioxin_atom3}
object{dioxin_atom4}
object{dioxin_atom5}
object{dioxin_atom6}
object{dioxin_atom7}
object{dioxin_atom8}
object{dioxin_atom9}
object{dioxin_atom10}
object{dioxin_atom11}
object{dioxin_atom12}
object{dioxin_atom13}
object{dioxin_atom14}
object{dioxin_atom15}
object{dioxin_atom16}
object{dioxin_atom17}
object{dioxin_atom18}
object{dioxin_atom19}
object{dioxin_atom20}
object{dioxin_atom21}
object{dioxin_atom22}
}
//Bonds only needed for ball and sticks or capped sticks models
#if (BAS | CST)
#declare dioxin_bonds = union {
object{dioxin_bond0}
object{dioxin_bond1}
object{dioxin_bond2}
object{dioxin_bond3}
object{dioxin_bond4}
object{dioxin_bond5}
object{dioxin_bond6}
object{dioxin_bond7}
object{dioxin_bond8}
object{dioxin_bond9}
object{dioxin_bond10}
object{dioxin_bond11}
object{dioxin_bond12}
object{dioxin_bond13}
object{dioxin_bond14}
object{dioxin_bond15}
object{dioxin_bond16}
object{dioxin_bond17}
object{dioxin_bond18}
object{dioxin_bond19}
object{dioxin_bond20}
object{dioxin_bond21}
object{dioxin_bond22}
object{dioxin_bond23}
}
#end
//Definition of molecule dioxin
#if (SPF)
#declare dioxin = object{
dioxin_atoms
#else
#declare dioxin = union {
object{dioxin_atoms}
#if (BAS | CST)//(Not really needed at moment!)
#if (TRANS)
difference {
object{dioxin_bonds}
object{dioxin_atoms}
}
#else
object{dioxin_bonds}
#end //(End of TRANS)
#end //(End of (BAS|CST))
#end //(End of SPF)
// bounded_by {
// box {
// <-7.3845,-7.7393,-4.0274>
// <7.3844,7.7396,4.0267>
}
//Center of molecule dioxin (bounding box)
#declare dioxin_center = <5.00679e-05,-0.000150204,0.000349998>
