!                                             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=1
 !
 hcolor$="white"
 ocolor$="white"
 ccolor$="white"
 ncolor$="white"
 fcolor$="white"
 clcolor$="white"
 brcolor$="white"
 icolor$="white"
 scolor$="white"
 uncolor$="white"
 dmcolor$="darkred"
 dmcolbd$="darkred"
 dumrad=1.50000
 if usecol=1 then
   transparency=200
   hcolor$="rgba255(255,255,255,transparency)"
   ocolor$="rgba255(255,0,0,transparency)"
   ccolor$="rgba255(175,175,175,transparency)"
   ncolor$="rgba255(30,144,255,transparency)"
   fcolor$="rgba255(0,255,127,transparency)"
   clcolor$="rgba255(50,205,50,transparency)"
   brcolor$="rgba255(60,179,113,transparency)"
   icolor$="rgba255(186,85,211,transparency)"
   scolor$="rgba255(255,255,0,transparency)"
 end if
 !
 labsiz=1.10
 labf$="texcmssb"      ! use texcmr or texcmssb
 !
 !------------------------------------------------------------------------
 !
 radmul=0.40000
 tbondw=0.43268
 hbondw=tbondw*0.5
 shade=0.09615
 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
 !
 ! Atom    19
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   11.73630   4.79450
    circle  1.07*radmul fill hcolor$ 
 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
   amove    9.39620   5.44433
   aline   11.73630   4.79450
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   10.05083   5.26254
   aline   11.42173   4.88185
   set lwidth hbondw
   set color black
   amove   10.05083   5.26254
   aline   11.42173   4.88185
 end if
 !
 ! Atom    14
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   16.87795  12.09975
    circle  1.07*radmul fill hcolor$ 
 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
    circle  1.07*radmul fill hcolor$ 
 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
   amove    9.39620   5.44433
   aline    6.59675   5.20933
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    8.61307   5.37859
   aline    6.97306   5.24092
   set lwidth hbondw
   set color black
   amove    8.61307   5.37859
   aline    6.97306   5.24092
 end if
 !
 ! Bond     3 - 14
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   amove   17.26823  11.34479
   aline   16.87795  12.09975
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   17.15714  11.55970
   aline   16.93134  11.99649
   set lwidth hbondw
   set color black
   amove   17.15714  11.55970
   aline   16.93134  11.99649
 end if
 !
 ! Atom    18
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    9.80562  11.58164
    circle  1.07*radmul fill hcolor$ 
 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
   amove    9.90138   9.57517
   aline    9.80562  11.58164
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    9.87381  10.15274
   aline    9.81886  11.30411
   set lwidth hbondw
   set color black
   amove    9.87381  10.15274
   aline    9.81886  11.30411
 end if
 !
 ! Atom    17
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    9.39620   5.44433
    circle  2.22*radmul fill  Ccolor$
 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
   amove    9.90138   9.57517
   aline    9.39620   5.44433
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove    9.80041   8.74954
   aline    9.49717   6.26996
   set lwidth tbondw
   set color black
   amove    9.80041   8.74954
   aline    9.49717   6.26996
 end if
 !
 ! Bond    17 - 21
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   amove    9.39620   5.44433
   aline    9.49519   3.38235
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    9.42389   4.86750
   aline    9.48188   3.65953
   set lwidth hbondw
   set color black
   amove    9.42389   4.86750
   aline    9.48188   3.65953
 end if
 !
 ! Atom     7
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   24.04388   9.32422
    circle  2.05*radmul fill  Ocolor$
 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
    circle  2.22*radmul fill  Ccolor$
 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
   amove   20.80543   8.95709
   aline   24.04388   9.32422
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   21.62976   9.05054
   aline   23.28378   9.23805
   set lwidth tbondw
   set color black
   amove   21.62976   9.05054
   aline   23.28378   9.23805
 end if
 !
 ! Atom    15
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    9.90138   9.57517
    circle  2.22*radmul fill  Ccolor$
 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
   amove   17.26823  11.34479
   aline   20.80543   8.95709
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   17.98076  10.86382
   aline   20.09290   9.43807
   set lwidth tbondw
   set color black
   amove   17.98076  10.86382
   aline   20.09290   9.43807
 end if
 !
 ! Bond     1 -  3
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   amove   13.82081   9.90486
   aline   17.26823  11.34479
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   14.52214  10.19779
   aline   16.56690  11.05186
   set lwidth tbondw
   set color black
   amove   14.52214  10.19779
   aline   16.56690  11.05186
 end if
 !
 ! Bond     1 - 15
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   amove   13.82081   9.90486
   aline    9.90138   9.57517
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   13.03743   9.83897
   aline   10.68475   9.64107
   set lwidth tbondw
   set color black
   amove   13.03743   9.83897
   aline   10.68475   9.64107
 end if
 !
 ! Bond     2 -  3
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   amove   15.42910  13.87958
   aline   17.26823  11.34479
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   15.80423  13.36255
   aline   16.89310  11.86182
   set lwidth tbondw
   set color black
   amove   15.80423  13.36255
   aline   16.89310  11.86182
 end if
 !
 ! Bond    15 - 16
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   amove    9.90138   9.57517
   aline    6.63107  10.48715
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove    9.24774   9.75745
   aline    7.28471  10.30487
   set lwidth tbondw
   set color black
   amove    9.24774   9.75745
   aline    7.28471  10.30487
 end if
 !
 ! Atom    21
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    9.49519   3.38235
    circle  1.07*radmul fill hcolor$ 
 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
    circle  2.22*radmul fill  Ccolor$
 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
    circle  1.07*radmul fill hcolor$ 
 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
   amove   20.80543   8.95709
   aline   19.45302   6.02662
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   20.53227   8.36519
   aline   19.72618   6.61852
   set lwidth tbondw
   set color black
   amove   20.53227   8.36519
   aline   19.72618   6.61852
 end if
 !
 ! Bond    16 - 22
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   amove    6.63107  10.48715
   aline    3.83085  10.25353
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    5.84772  10.42180
   aline    4.20727  10.28494
   set lwidth hbondw
   set color black
   amove    5.84772  10.42180
   aline    4.20727  10.28494
 end if
 !
 ! Atom     9
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   13.77750  16.33685
    circle  1.07*radmul fill hcolor$ 
 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
   amove   15.42910  13.87958
   aline   13.77750  16.33685
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   14.95896  14.57906
   aline   14.00341  16.00074
   set lwidth hbondw
   set color black
   amove   14.95896  14.57906
   aline   14.00341  16.00074
 end if
 !
 ! Atom     1
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   13.82081   9.90486
    circle  2.22*radmul fill  Ccolor$
 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
   amove   13.82081   9.90486
   aline   15.42910  13.87958
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   14.14885  10.71560
   aline   15.10105  13.06884
   set lwidth tbondw
   set color black
   amove   14.14885  10.71560
   aline   15.10105  13.06884
 end if
 !
 ! Bond     1 -  5
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   amove   13.82081   9.90486
   aline   15.10670   6.56419
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   14.07899   9.23411
   aline   14.84851   7.23493
   set lwidth tbondw
   set color black
   amove   14.07899   9.23411
   aline   14.84851   7.23493
 end if
 !
 ! Atom    13
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   19.97377   3.11371
    circle  1.07*radmul fill hcolor$ 
 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
    circle  2.22*radmul fill  Ccolor$
 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
    circle  2.22*radmul fill  Ccolor$
 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
   amove   19.45302   6.02662
   aline   19.97377   3.11371
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   19.59990   5.20503
   aline   19.90319   3.50850
   set lwidth hbondw
   set color black
   amove   19.59990   5.20503
   aline   19.90319   3.50850
 end if
 !
 ! Bond    16 - 23
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   amove    6.63107  10.48715
   aline    6.99708  13.43749
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    6.73346  11.31250
   aline    6.94788  13.04090
   set lwidth hbondw
   set color black
   amove    6.73346  11.31250
   aline    6.94788  13.04090
 end if
 !
 ! Bond    16 - 24
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   amove    6.63107  10.48715
   aline    6.73234   8.42100
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove    6.65940   9.90916
   aline    6.71873   8.69874
   set lwidth hbondw
   set color black
   amove    6.65940   9.90916
   aline    6.71873   8.69874
 end if
 !
 ! Bond     2 -  8
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   amove   15.42910  13.87958
   aline   17.00605  14.32856
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   15.87799  14.00738
   aline   16.79035  14.26714
   set lwidth hbondw
   set color black
   amove   15.87799  14.00738
   aline   16.79035  14.26714
 end if
 !
 ! Atom     6
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   19.45302   6.02662
    circle  2.22*radmul fill  Ccolor$
 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
    circle  1.07*radmul fill hcolor$ 
 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
    circle  1.07*radmul fill hcolor$ 
 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
   amove   15.10670   6.56419
   aline   13.51340   3.94270
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   14.65730   5.82479
   aline   13.72934   4.29800
   set lwidth hbondw
   set color black
   amove   14.65730   5.82479
   aline   13.72934   4.29800
 end if
 !
 ! Bond     5 -  6
 !
 set lstyle 0
 if longst=1 then
   set lwidth tbondw
   amove   15.10670   6.56419
   aline   19.45302   6.02662
 else
   set lwidth 2.0*shade+tbondw
   set color white
   amove   15.97540   6.45674
   aline   18.58432   6.13407
   set lwidth tbondw
   set color black
   amove   15.97540   6.45674
   aline   18.58432   6.13407
 end if
 !
 ! Bond     6 - 12
 !
 set lstyle 0
 if longst=1 then
   set lwidth hbondw
   amove   19.45302   6.02662
   aline   21.04594   6.45626
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   19.90230   6.14780
   aline   20.83005   6.39803
   set lwidth hbondw
   set color black
   amove   19.90230   6.14780
   aline   20.83005   6.39803
 end if
 !
 ! Atom     5
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   15.10670   6.56419
    circle  2.22*radmul fill  Ccolor$
 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
 !
 ! Atom    24
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove    6.73234   8.42100
    circle  1.07*radmul fill hcolor$ 
 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
    circle  1.07*radmul fill hcolor$ 
 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
   amove   15.10670   6.56419
   aline   14.57909   7.26506
 else
   set lwidth 2.0*shade+hbondw
   set color white
   amove   14.95789   6.76187
   aline   14.65060   7.17007
   set lwidth hbondw
   set color black
   amove   14.95789   6.76187
   aline   14.65060   7.17007
 end if
 !
 ! Atom    12
 !
 set hei labsiz
 set lwidth circw
 if atball=1 then
   amove   21.04594   6.45626
    circle  1.07*radmul fill hcolor$ 
 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
    circle  1.07*radmul fill hcolor$ 
 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: 3:50 \, 4/ 1/2012}
 !                                             PMIFST version 23.XII.2011
 !------------------------------------------------------------------------
 !