v13 1 10.930 10.930 10.930 90.000 90.000 90.000 x, y, z -x, -y, z -x, y, -z x, -y, -z z, x, y z, -x, -y -z, -x, y -z, x, -y y, z, x -y, z, -x y, -z, -x -y, -z, x y, x, -z -y, -x, -z y, -x, z -y, x, z x, z, -y -x, z, y -x, -z, -y x, -z, y z, y, -x z, -y, x -z, y, x -z, -y, -x -x, -y, -z x, y, -z x, -y, z -x, y, z -z, -x, -y -z, x, y z, x, -y z, -x, y -y, -z, -x y, -z, x -y, z, x y, z, -x -y, -x, z y, x, z -y, x, -z y, -x, -z -x, -z, y x, -z, -y x, z, y -x, z, -y -z, -y, x -z, y, -x z, -y, -x 1 z, y, x N1 0.24440 0.24440 0.00000 0 0.16000 0.16000 0.12900 0.02300 0.00000 0.00000 8 O1W 0.50000 0.50000 0.00000 0 0.10300 0.10300 0.24000 0.00000 0.00000 0.00000 8 O2W 0.24440 0.24440 0.00000 0 0.16000 0.16000 0.12900 0.02300 0.00000 0.00000 8 O3 0.41410 0.41410 0.41410 0 0.08100 0.08100 0.08100 0.02500 0.02500 0.02500 8 O2 0.38390 0.38390 0.20970 0 0.17400 0.17400 0.17400 0.07800 0.07600 0.07600 8 O1 0.16600 0.50000 0.16600 0 0.09600 0.17700 0.09600 0.00000 -0.03600 0.00000 8 V1 0.50000 0.50000 0.50000 0 0.07370 0.07370 0.07370 0.00000 0.00000 0.00000 8 V2 0.27279 0.50000 0.27279 0 0.04060 0.06450 0.04060 0.00000 -0.01670 0.00000 8 ORIG 0.00000 0.00000 0.00000 7 0.01000 0.00000 0.00000 0.00000 0.00000 0.00000 0 CELLMDPT 0.50000 0.50000 0.50000 0 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0 CENTROID 0.34070 0.41085 0.19532 0 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0 # Set plot boundary, margin and view distance # [F9:W, F9:H, F9:VD, F9:MRGN] 0 301 10.700 8.200 30.000 0.300 # Initialise plotter 0 201 # Set pen color [I9:COLOR] 0 204 0 # Set pen width [F9:WIDTH] 0 205 1.00 # Insert the asymmetric unit [2I9:ADR] 0 401 155501 -855501 # Best plane view 2 506 2 1 1 0 0 0 1.00 2 2 6 0 0 0 1.00 0 7 8 0 0 0 1.00 # Apply ellipsoid scaling [3X9, I9:SCALE2] 0 604 0 0 0 -50 # Apply incremental positioning and scaling 0 611 0.000 0.000 0.850 0 1001 0.040 # All possible bonds (STORE) # --N-- # N-N: 2 822 0 1 1 1 1 5 0.65 1.61 0.05 # N-O: 2 822 0 1 1 2 6 5 0.65 1.61 0.05 # N-V: 2 822 0 1 1 7 8 5 0.65 2.26 0.05 # --O-- # O-O: 2 822 0 2 6 2 6 5 0.65 1.61 0.05 # O-V: 2 822 0 2 6 7 8 5 0.65 2.26 0.05 # --V-- # V-V: 2 822 0 7 8 7 8 5 0.65 2.91 0.05 # Draw atoms [4I9:STYLE, 3F9:LABEL] # [2X9, 2I9:ANR] # Change pen color [I9:COLOR] 0 204 -5921197 # --N-- 1 705 4 0 4 0 0.180 0.360 0.360 0 0 0 1 1 # Change pen color [I9:COLOR] 0 204-14062195 # --O-- 1 705 4 0 4 0 0.180 0.360 0.360 0 0 0 2 6 # Change pen color [I9:COLOR] 0 204 -8669563 # --V-- 1 705 4 0 4 0 0.180 0.360 0.360 0 0 0 7 8 # Change pen color [I9:COLOR] 0 204 -3355443 # Change pen width [F9:WIDTH] 0 205 0.50 # All possible bonds (DRAW) # --N-- # N-N: 2 812 0 1 1 1 1 5 0.65 1.61 0.05 # N-O: 2 812 0 1 1 2 6 5 0.65 1.61 0.05 # N-V: 2 812 0 1 1 7 8 5 0.65 2.26 0.05 # --O-- # O-O: 2 812 0 2 6 2 6 5 0.65 1.61 0.05 # O-V: 2 812 0 2 6 7 8 5 0.65 2.26 0.05 # --V-- # V-V: 2 812 0 7 8 7 8 5 0.65 2.91 0.05 # Close plot 0 202 # End instructions 0 -1