!                                             PMIFST version 23.XII.2011
 !------------------------------------------------------------------------
 !
 ! SABINA KETONE    JACS 100,8166(1978)                                           
 !
 !------------------------------------------------------------------------
 !
 size 29.8 21
 !
 ! Comment/uncomment the box command for a colour background (useful for converting
 ! to transparent background (export to JPG, convert to GIF with Irfanview,
 ! use the background color as the transparent colour)
 !
 ! box  29.8 21 fill rgb255(255,255,51) nobox
 !
 !
 ! PLOT CUSTOMISATION, set the first four control variables as follows:
 !   0,1,0,1 = default, ball&stick, heavy atom labels only
 !   0,1,1,1 = ball&stick, all atoms labelled
 !   0,1,0,0 = ball&stick, no labels
 !   1,0,0,0 = long sticks only
 !
 longst=0
 atball=1
 labelh=0
 labela=0
 !
 ! setting usecol=1 will fill atomic circles with predefined colours
 !
 usecol=0
 !
 hcolor$="white"
 ocolor$="white"
 ccolor$="white"
 ncolor$="white"
 fcolor$="white"
 clcolor$="white"
 brcolor$="white"
 icolor$="white"
 scolor$="white"
 uncolor$="white"
 dmcolor$="red"
 dmcolbd$="red"
 dmbackc$="darkred"
 dumrad=0.30000
 if usecol=1 then
   hcolor$="white"
   ocolor$="red"
   ccolor$="grey20"
   ncolor$="dodgerblue"
   fcolor$="springgreen"
   clcolor$="limegreen"
   brcolor$="mediumseagreen"
   icolor$="mediumorchid"
   scolor$="yellow"
 end if
 !
 labsiz=1.23
 labf$="texcmssb"      ! use texcmr or texcmssb
 !
 !------------------------------------------------------------------------
 !
 radmul=0.45000
 tbondw=0.86536
 hbondw=tbondw*0.5
 shade=0.02885
 circw=0.05
 cirlet=0.45*labsiz
 !
 ! scaling =   2.88452 Angstr/cm
 !   xorig =  15.14532
 !   yorig =   9.10117
 !
 amove 1.0 -1.5
 begin translate    0.00000   0.00000
 !
 !------------------------------------------------------------------------
 !
 !         PRINCIPAL AXES
 !
 !------------------------------------------------------------------------
 !
 set lwidth 0.015
 set hei 1.0
 set font texcmmi
 !
 !  A-axis
 !
 set lstyle 9
 amove   26.99946   9.10117
 aline    1.76513   9.10117
 set lstyle 0
 amove   27.29946   8.90117
 text a
 !
 !  C-axis
 !
 set lstyle 9
 amove   15.14532  18.85980
 aline   15.14532   1.31434
 set lstyle 0
 amove   14.94532  19.15980
 text b
 !
 !  Y-axis
 !
 !
 !------------------------------------------------------------------------
 !
 !         BOND STICKS AND ATOM LABELS
 !
 !------------------------------------------------------------------------
 !
 set cap round
 set font labf$
 zmin=-1.77575
 zmax=2.14356
 !
 !-------------------------------- 
 sub dcuedbond x1 y1 z1 x2 y2 z2
   nsect=20
   colmin=0
   colmax=220
   grcol=(colmax-colmin)/(zmax-zmin)
   xincr=(x2-x1)/nsect
   yincr=(y2-y1)/nsect
   zincr=(z2-z1)/nsect
   x=x1
   y=y1
   z=z1
   amove x y
   for i=1 to nsect
     x=x+xincr
     y=y+yincr
     z=z+zincr
     col=int((z-zmin)*grcol+colmin)
     set color rgb255(col,col,col)
     aline x y 
   next i
   set color black
 end sub
 !-------------------------------- 
 sub zcol z
   nsect=20.0
   colmin=0
   colmax=220
   grcol=(colmax-colmin)/(zmax-zmin)
   col=int((z-zmin)*grcol+colmin)
   return col
 end sub
 !-------------------------------- 
 !
 ! Atom    19
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   11.73630   4.79450
    col=zcol(-1.78)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove   11.73630   4.79450
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Bond    17 - 19
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(   9.39620,   5.44433,  -1.06631,  11.73630,   4.79450,  -1.77575)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   10.13266   5.23982
   aline   11.38241   4.89277
   set lwidth hbondw
   dcuedbond(  10.13266,   5.23982,  -1.06631,  11.38241,   4.89277,  -1.77575)
 end if
 !
 ! Atom    14
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   16.87795  12.09975
    col=zcol(-1.63)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove   16.87795  12.09975
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Atom    20
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    6.59675   5.20933
    col=zcol(-1.58)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove    6.59675   5.20933
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Bond    17 - 20
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(   9.39620,   5.44433,  -1.06631,   6.59675,   5.20933,  -1.57980)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    8.51517   5.37037
   aline    7.02010   5.24486
   set lwidth hbondw
   dcuedbond(   8.51517,   5.37037,  -1.06631,   7.02010,   5.24486,  -1.57980)
 end if
 !
 ! Bond     3 - 14
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(  17.26823,  11.34479,  -0.59095,  16.87795,  12.09975,  -1.63206)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   17.14325  11.58656
   aline   16.93801  11.98358
   set lwidth hbondw
   dcuedbond(  17.14325,  11.58656,  -0.59095,  16.93801,  11.98358,  -1.63206)
 end if
 !
 ! Atom    18
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    9.80562  11.58164
    col=zcol(-1.34)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove    9.80562  11.58164
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Bond    15 - 18
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(   9.90138,   9.57517,  -0.52485,   9.80562,  11.58164,  -1.33722)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    9.87037  10.22493
   aline    9.82052  11.26942
   set lwidth hbondw
   dcuedbond(   9.87037,  10.22493,  -0.52485,   9.82052,  11.26942,  -1.33722)
 end if
 !
 ! Atom    17
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    9.39620   5.44433
    col=zcol(-1.07)
    set lwidth shade
    set color  white
    circle  2.22*radmul fill rgb255(col,col,col)
 end if
 if labela=1 then
   amove    9.39620   5.44433
   set color  Ccolor$
   circle cirlet fill  Ccolor$
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text C
 end if
 !
 ! Bond    15 - 17
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(   9.90138,   9.57517,  -0.52485,   9.39620,   5.44433,  -1.06631)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove    9.78779   8.64634
   aline    9.50979   6.37317
   set lwidth tbondw
   dcuedbond(   9.78779,   8.64634,  -0.52485,   9.50979,   6.37317,  -1.06631)
 end if
 !
 ! Bond    17 - 21
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(   9.39620,   5.44433,  -1.06631,   9.49519,   3.38235,  -0.22964)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    9.42735   4.79540
   aline    9.48022   3.69417
   set lwidth hbondw
   dcuedbond(   9.42735,   4.79540,  -1.06631,   9.48022,   3.69417,  -0.22964)
 end if
 !
 ! Atom     7
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   24.04388   9.32422
    col=zcol(-0.64)
    set lwidth shade
    set color  white
    circle  2.05*radmul fill rgb255(col,col,col)
 end if
 if labela=1 then
   amove   24.04388   9.32422
   set color  Ocolor$
   circle cirlet fill  Ocolor$
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text O
 end if
 !
 ! Atom     3
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   17.26823  11.34479
    col=zcol(-0.59)
    set lwidth shade
    set color  white
    circle  2.22*radmul fill rgb255(col,col,col)
 end if
 if labela=1 then
   amove   17.26823  11.34479
   set color  Ccolor$
   circle cirlet fill  Ccolor$
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text C
 end if
 !
 ! Bond     4 -  7
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(  20.80543,   8.95709,  -0.20506,  24.04388,   9.32422,  -0.63801)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   21.73281   9.06223
   aline   23.18877   9.22728
   set lwidth tbondw
   dcuedbond(  21.73281,   9.06223,  -0.20506,  23.18877,   9.22728,  -0.63801)
 end if
 !
 ! Atom    15
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    9.90138   9.57517
    col=zcol(-0.52)
    set lwidth shade
    set color  white
    circle  2.22*radmul fill rgb255(col,col,col)
 end if
 if labela=1 then
   amove    9.90138   9.57517
   set color  Ccolor$
   circle cirlet fill  Ccolor$
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text C
 end if
 !
 ! Bond     3 -  4
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(  17.26823,  11.34479,  -0.59095,  20.80543,   8.95709,  -0.20506)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   18.06983  10.80369
   aline   20.00384   9.49819
   set lwidth tbondw
   dcuedbond(  18.06983,  10.80369,  -0.59095,  20.00384,   9.49819,  -0.20506)
 end if
 !
 ! Bond     1 -  3
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(  13.82081,   9.90486,   0.19302,  17.26823,  11.34479,  -0.59095)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   14.60980  10.23441
   aline   16.47924  11.01524
   set lwidth tbondw
   dcuedbond(  14.60980,  10.23441,   0.19302,  16.47924,  11.01524,  -0.59095)
 end if
 !
 ! Bond     1 - 15
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(  13.82081,   9.90486,   0.19302,   9.90138,   9.57517,  -0.52485)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   12.93951   9.83073
   aline   10.78267   9.64931
   set lwidth tbondw
   dcuedbond(  12.93951,   9.83073,   0.19302,  10.78267,   9.64931,  -0.52485)
 end if
 !
 ! Bond     2 -  3
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(  15.42910,  13.87958,   0.45851,  17.26823,  11.34479,  -0.59095)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   15.85112  13.29792
   aline   16.84620  11.92645
   set lwidth tbondw
   dcuedbond(  15.85112,  13.29792,   0.45851,  16.84620,  11.92645,  -0.59095)
 end if
 !
 ! Bond    15 - 16
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(   9.90138,   9.57517,  -0.52485,   6.63107,  10.48715,   0.46981)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove    9.16603   9.78024
   aline    7.36641  10.28209
   set lwidth tbondw
   dcuedbond(   9.16603,   9.78024,  -0.52485,   7.36641,  10.28209,   0.46981)
 end if
 !
 ! Atom    21
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    9.49519   3.38235
    col=zcol(-0.23)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove    9.49519   3.38235
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Atom     4
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   20.80543   8.95709
    col=zcol(-0.21)
    set lwidth shade
    set color  white
    circle  2.22*radmul fill rgb255(col,col,col)
 end if
 if labela=1 then
   amove   20.80543   8.95709
   set color  Ccolor$
   circle cirlet fill  Ccolor$
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text C
 end if
 !
 ! Atom    22
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    3.83085  10.25353
    col=zcol(-0.04)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove    3.83085  10.25353
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Bond     4 -  6
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(  20.80543,   8.95709,  -0.20506,  19.45302,   6.02662,   0.83097)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   20.49812   8.29120
   aline   19.76032   6.69251
   set lwidth tbondw
   dcuedbond(  20.49812,   8.29120,  -0.20506,  19.76032,   6.69251,   0.83097)
 end if
 !
 ! Bond    16 - 22
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(   6.63107,  10.48715,   0.46981,   3.83085,  10.25353,  -0.04326)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    5.74980  10.41363
   aline    4.25432  10.28886
   set lwidth hbondw
   dcuedbond(   5.74980,  10.41363,   0.46981,   4.25432,  10.28886,  -0.04326)
 end if
 !
 ! Atom     9
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   13.77750  16.33685
    col=zcol( 0.12)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove   13.77750  16.33685
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Bond     2 -  9
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(  15.42910,  13.87958,   0.45851,  13.77750,  16.33685,   0.11620)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   14.90019  14.66650
   aline   14.03165  15.95872
   set lwidth hbondw
   dcuedbond(  14.90019,  14.66650,   0.45851,  14.03165,  15.95872,   0.11620)
 end if
 !
 ! Atom     1
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   13.82081   9.90486
    col=zcol( 0.19)
    set lwidth shade
    set color  white
    circle  2.22*radmul fill rgb255(col,col,col)
 end if
 if labela=1 then
   amove   13.82081   9.90486
   set color  Ccolor$
   circle cirlet fill  Ccolor$
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text C
 end if
 !
 ! Bond     1 -  2
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(  13.82081,   9.90486,   0.19302,  15.42910,  13.87958,   0.45851)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   14.18986  10.81694
   aline   15.06004  12.96750
   set lwidth tbondw
   dcuedbond(  14.18986,  10.81694,   0.19302,  15.06004,  12.96750,   0.45851)
 end if
 !
 ! Bond     1 -  5
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(  13.82081,   9.90486,   0.19302,  15.10670,   6.56419,   1.09476)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   14.11126   9.15027
   aline   14.81624   7.31878
   set lwidth tbondw
   dcuedbond(  14.11126,   9.15027,   0.19302,  14.81624,   7.31878,   1.09476)
 end if
 !
 ! Atom    13
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   19.97377   3.11371
    col=zcol( 0.46)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove   19.97377   3.11371
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Atom     2
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   15.42910  13.87958
    col=zcol( 0.46)
    set lwidth shade
    set color  white
    circle  2.22*radmul fill rgb255(col,col,col)
 end if
 if labela=1 then
   amove   15.42910  13.87958
   set color  Ccolor$
   circle cirlet fill  Ccolor$
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text C
 end if
 !
 ! Atom    16
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    6.63107  10.48715
    col=zcol( 0.47)
    set lwidth shade
    set color  white
    circle  2.22*radmul fill rgb255(col,col,col)
 end if
 if labela=1 then
   amove    6.63107  10.48715
   set color  Ccolor$
   circle cirlet fill  Ccolor$
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text C
 end if
 !
 ! Bond     6 - 13
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(  19.45302,   6.02662,   0.83097,  19.97377,   3.11371,   0.45669)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   19.61826   5.10234
   aline   19.89437   3.55785
   set lwidth hbondw
   dcuedbond(  19.61826,   5.10234,   0.83097,  19.89437,   3.55785,   0.45669)
 end if
 !
 ! Bond    16 - 23
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(   6.63107,  10.48715,   0.46981,   6.99708,  13.43749,   0.85703)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    6.74626  11.41566
   aline    6.94173  12.99132
   set lwidth hbondw
   dcuedbond(   6.74626,  11.41566,   0.46981,   6.94173,  12.99132,   0.85703)
 end if
 !
 ! Bond    16 - 24
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(   6.63107,  10.48715,   0.46981,   6.73234,   8.42100,   1.30521)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    6.66294   9.83691
   aline    6.71702   8.73346
   set lwidth hbondw
   dcuedbond(   6.66294,   9.83691,   0.46981,   6.71702,   8.73346,   1.30521)
 end if
 !
 ! Bond     2 -  8
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(  15.42910,  13.87958,   0.45851,  17.00605,  14.32856,   1.37918)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   15.93410  14.02336
   aline   16.76338  14.25947
   set lwidth hbondw
   dcuedbond(  15.93410,  14.02336,   0.45851,  16.76338,  14.25947,   1.37918)
 end if
 !
 ! Atom     6
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   19.45302   6.02662
    col=zcol( 0.83)
    set lwidth shade
    set color  white
    circle  2.22*radmul fill rgb255(col,col,col)
 end if
 if labela=1 then
   amove   19.45302   6.02662
   set color  Ccolor$
   circle cirlet fill  Ccolor$
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text C
 end if
 !
 ! Atom    11
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   13.51340   3.94270
    col=zcol( 0.85)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove   13.51340   3.94270
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Atom    23
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    6.99708  13.43749
    col=zcol( 0.86)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove    6.99708  13.43749
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Bond     5 - 11
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(  15.10670,   6.56419,   1.09476,  13.51340,   3.94270,   0.84693)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   14.60113   5.73237
   aline   13.75633   4.34241
   set lwidth hbondw
   dcuedbond(  14.60113,   5.73237,   1.09476,  13.75633,   4.34241,   0.84693)
 end if
 !
 ! Bond     5 -  6
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   dcuedbond(  15.10670,   6.56419,   1.09476,  19.45302,   6.02662,   0.83097)
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   16.08398   6.44331
   aline   18.47573   6.14750
   set lwidth tbondw
   dcuedbond(  16.08398,   6.44331,   1.09476,  18.47573,   6.14750,   0.83097)
 end if
 !
 ! Atom     5
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   15.10670   6.56419
    col=zcol( 1.09)
    set lwidth shade
    set color  white
    circle  2.22*radmul fill rgb255(col,col,col)
 end if
 if labela=1 then
   amove   15.10670   6.56419
   set color  Ccolor$
   circle cirlet fill  Ccolor$
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text C
 end if
 !
 ! Bond     6 - 12
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(  19.45302,   6.02662,   0.83097,  21.04594,   6.45626,   1.76120)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   19.95846   6.16295
   aline   20.80307   6.39075
   set lwidth hbondw
   dcuedbond(  19.95846,   6.16295,   0.83097,  20.80307,   6.39075,   1.76120)
 end if
 !
 ! Atom    24
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    6.73234   8.42100
    col=zcol( 1.31)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove    6.73234   8.42100
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Atom     8
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   17.00605  14.32856
    col=zcol( 1.38)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove   17.00605  14.32856
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Bond     5 - 10
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   dcuedbond(  15.10670,   6.56419,   1.09476,  14.57909,   7.26506,   2.14356)
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   14.93928   6.78658
   aline   14.65954   7.15819
   set lwidth hbondw
   dcuedbond(  14.93928,   6.78658,   1.09476,  14.65954,   7.15819,   2.14356)
 end if
 !
 ! Atom    12
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   21.04594   6.45626
    col=zcol( 1.76)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove   21.04594   6.45626
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 ! Atom    10
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   14.57909   7.26506
    col=zcol( 2.14)
    set lwidth shade
    set color  white
    circle  1.07*radmul fill rgb255(col,col,col)
 end if
 if labelh=1 then
   amove   14.57909   7.26506
   set color hcolor$ 
   circle cirlet fill hcolor$ 
   set color black
   rmove -0.35*labsiz -0.35*labsiz
   text H
 end if
 !
 end translate
 !
 !------------------------------------------------------------------------
 !
 set font texcmr
 set hei 0.7
 amove 1 20.0
 text {\setfont{texcmb}PMIFST}_{11: 2:34 \, 4/ 1/2012}
 !                                             PMIFST version 23.XII.2011
 !------------------------------------------------------------------------
 !