COMPND      ASPARTAME

AUTHOR      DAVE WOODCOCK  95 11 28

ATOM      1  C           1      -4.283   0.371  -0.549  1.00  0.00

ATOM      2  C           1      -2.812   0.063  -0.874  1.00  0.00

ATOM      3  O           1      -2.562  -0.797  -1.689  1.00  0.00

ATOM      4  C           1      -4.697   1.824  -0.842  1.00  0.00

ATOM      5  C           1      -3.998   2.858   0.029  1.00  0.00

ATOM      6  O           1      -3.580   2.492   1.150  1.00  0.00

ATOM      7  O           1      -3.544   3.824  -0.604  1.00  0.00

ATOM      8  N           1      -1.858   0.578  -0.096  1.00  0.00

ATOM      9  C           1      -0.428   0.242  -0.265  1.00  0.00

ATOM     10  C           1      -0.285  -1.280  -0.262  1.00  0.00

ATOM     11  O           1       0.385  -1.862  -1.117  1.00  0.00

ATOM     12  C           1       0.462   0.897   0.828  1.00  0.00

ATOM     13  C           1       1.926   0.943   0.560  1.00  0.00

ATOM     14  C           1       2.834   0.008   1.081  1.00  0.00

ATOM     15  C           1       2.465   2.018  -0.229  1.00  0.00

ATOM     16  C           1       4.199   0.057   0.723  1.00  0.00

ATOM     17  C           1       3.866   2.061  -0.493  1.00  0.00

ATOM     18  C           1       4.689   1.073  -0.035  1.00  0.00

ATOM     19  O           1      -0.649  -1.992   1.019  1.00  0.00

ATOM     20  C           1      -0.145  -3.411   1.067  1.00  0.00

ATOM     21  H           1      -4.856  -0.208  -1.274  1.00  0.00

ATOM     22  H           1      -4.637   2.075  -1.905  1.00  0.00

ATOM     23  H           1      -5.731   1.868  -0.512  1.00  0.00

ATOM     24  H           1      -2.092   1.391   0.460  1.00  0.00

ATOM     25  H           1      -0.113   0.629  -1.236  1.00  0.00

ATOM     26  H           1       0.297   0.397   1.783  1.00  0.00

ATOM     27  H           1       0.097   1.918   0.929  1.00  0.00

ATOM     28  H           1       2.359  -0.841   1.732  1.00  0.00

ATOM     29  H           1       1.766   2.765  -0.607  1.00  0.00

ATOM     30  H           1       4.790  -0.741   1.187  1.00  0.00

ATOM     31  H           1       4.148   2.922  -1.112  1.00  0.00

ATOM     32  H           1       5.731   1.104  -0.292  1.00  0.00

ATOM     33  H           1       0.942  -3.421   0.989  1.00  0.00

ATOM     34  H           1      -0.575  -3.985   0.246  1.00  0.00

ATOM     35  H           1      -0.439  -3.868   2.012  1.00  0.00

ATOM     36  N           1      -4.683  -0.181   0.821  1.00  0.00

ATOM     37  H           1      -5.702   0.057   1.044  1.00  0.00

ATOM     38  H           1      -4.080   0.201   1.616  1.00  0.00

ATOM     39  H           1      -4.614  -1.249   0.804  1.00  0.00

TER      40              1

END

#!rasmol -rsm file
# Creator: RasTop Version 2.0.3 - Copyright (C) Philippe Valadon 2000-2003

zap
set connect on
load pdb inline
set title aspartame

# Colour details
background [0,0,0]
set backfade off
set headlight default
set ambient 40
set specular off
set shadepower 50
set depthcue off
set shadow off
stereo off

# Transformation
reset
rotate molecule
set picking ident
set worlddepth 4538
# zoom 100.00
scale 18.15
position x 0.000 y 0.000 z 0.000

# Rendering
set axes off
set boundingbox off
set unitcell off
set bonds off
set bondmode and
dots off

# Avoid Colour Problems!
select all
colour bonds none
colour backbone none
colour hbonds none
colour ssbonds none
colour ribbons none
colour white

# Atoms
select (atomno>=1) and (atomno<=2)
colour atoms [100,100,100]
select atomno=3
colour atoms [240,0,0]
select (atomno>=4) and (atomno<=5)
colour atoms [100,100,100]
select (atomno>=6) and (atomno<=8)
colour atoms cpk
select (atomno>=9) and (atomno<=10)
colour atoms [100,100,100]
select atomno=11
colour atoms [240,0,0]
select (atomno>=12) and (atomno<=18)
colour atoms [100,100,100]
select atomno=19
colour atoms [240,0,0]
select atomno=20
colour atoms [100,100,100]
select (atomno>=21) and (atomno<=39)
colour atoms cpk
select all
spacefill 120
set shadow off

# Bonds
wireframe 40

# Ribbons
ribbons off

# Backbone
backbone off

# Labels
labels off

# Monitors
monitors off

# ssbonds
ssbonds off

# hbonds
hbonds off

# Dots
set solvent false
set radius 0
set dots 1
dots off

# AtomSets
# no sets

select all

# World Transformation
rotate world
centre origin
set axes world off
rotate world x -171.73
rotate world y -21.25
rotate world z 123.04
position world x 0.000 y 0.000
reset slab
slab off
reset depth
depth off
molecule 1
centre molecule

exit