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