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ARM Club 3
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Cubane
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1996-04-26
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3KB
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70 lines
CUBANE E.B.FLEISCHER 1964 J.A.C.S. 86, 3889
1 5.34 5.34 5.34 72.26 72.26 72.26
x, y, z
z, x, y
y, z, x
-x, -y, -z
-z, -x, -y
1 -y, -z, -x
C1 -.18711 .19519 .10706 0
0 .04100 .04250 .04500 -.00420 -.01420 -.00510 0
C2 .11546 .11546 .11546 0
0 .04680 .04680 .04680 -.01430 -.01430 -.01430 0
H1 -.32460 .34680 .18480 0
0 .10 7
H2 .21000 .21000 .21000 0
0 .10 7
ORGN 0 0 0 0
1 0
# FIND ALL NEIGHBOR ATOMS AROUND C1 AND C2 OUT TO 3.61 A
101 155501 2 1 4 3.61
# FIND COVALENT BONDS AND BOND ANGLES AROUND CARBONS
102 155501 2 1 4 1.8
# INITIALIZE PLOTTER PACKAGE
201
# 5x5 BOUNDARY, 4x4 INSIDE 0.5 MARGIN, VIEW FROM 15 INCHES
301 5.0 5.0 15. 0.5
# ENCLOSER SPHERE OF RADIUS 3.2 A ABOUT DUMMY ATOM 5,555,01
402 555501 5 1 4 3.2
# ORIGIN ON DUMMY ATOM 555501, VECTORS ALONG 2 EDGES OF CUBANE
501 555501 255501 155501 255501 155502 0 0
# ROTATE 25 DEGREES ABOUT Y, THEN 28 DEGREES ABOUT NEW X
502 2 25. 1 28.
# AUTOMATIC SCALE AND POSITION, 50 PERCENT PROBABILITY ELLIPSOIDS
604 -50
# STEREO ROTATION OF 2.7 DEGREES ABOUT Y FOR LEFT EYE
503 2 2.7
# START SAVE SEQUENCE
1101
# STORE PROJECTED ATOMS AND BONDS FOR OVERLAP, MARGIN SET BY DEFAULT
2 1001
1 4 1 4 4 0.9 1.6 .04
# DRAW CARBON ATOM ELLIPSOIDS, ATOM NUMBER RUN 1-2
1 716 .12 .30 .40
1 2
# DRAW HYDROGEN ATOM SPHERES, ATOM NUMBER RUN 3-4
1 712 .12 .25 .25
3 4
# TYPE 4 BONDS .04 A MEAN RADIUS, ATOMS 1-4 TO ATOMS 1-4, 0.9-1.6 A
2 812
1 4 1 4 4 0.9 1.6 .04
# LABEL BOND 155504-155503 WITH REGULAR BOND DISTANCE LABEL
906 155504 155503 .12 0 -.4
# LABEL BOND 255504-155505 WITH PERSPECTIVE BOND DISTANCE LABEL
916 255504 155505 .12 0 -.4
# PUT TITLE ON PLOT
3 902 555501 3.0 0.5 .20 0 0
Cubane
# END OF SAVE SEQUENCE
1102
# SHIFT PLOT ORIGIN 4 INCHES ALONG X
202 4.0
# STEREO ROTATION OF -2.7 DEGREES ABOUT Y FOR RIGHT EYE VIEW
503 2 -2.7
# EXECUTE SAVED SEQUENCE FOR RIGHT EYE DRAWING
1103
# TERMINATE PLOTTING
202
# TERMINATE PROGRAM
-1