# Details of computing
0: BORPII.cif
1: CEKBUP.cif
2: CORPIJ.cif
3: GUQPOZ.cif
4: LONGOK.cif
5: PYRBZQ.cif
6: PYRBZQ01.cif
7: PYRCBZ.cif
8: PYRCBZ01.cif
9: PYRCBZ02.cif
12: PYRCYE10.cif
13: PYRENE.cif
14: PYRENE01.cif
15: PYRENE02.cif
16: PYRENE03.cif
17: PYRENE06.cif
18: PYRENE07.cif
19: PYRENE08.cif
20: PYRENE09.cif
21: PYRENE10.cif
22: PYRFLR.cif
23: PYRFLR01.cif
24: PYRPMA03.cif
25: RACSAP.cif
26: REDCIM.cif
27: REDCIM01.cif
28: UBUJAE.cif
29: XUYBAW.cif
30: XUYCAX.cif
31: XUYCIF.cif
32: XUYDAY.cif
33: XUYFEE.cif
34: XUYGAB.cif
35: ZZZGKE01.cif
36: ZZZGKE02.cif


-------------------------------------
012345678912131415161718192021222324252627282930313233343536
00.0000 7.0054 8.8840 9.0615 6.2703 9.0908 9.1222 6.7101 6.7353 6.7200 7.2107 9.1278 9.0998 9.1124 9.0610 10.8963 10.8662 5.5308 5.3972 9.0715 1.6250 1.6217 4.9490 8.4718 6.5461 6.5410 3.7954 6.4518 4.5005 4.5225 4.8086 5.2235 4.9615 5.9668 5.9661
17.0054 0.0000 11.4558 8.2567 7.5901 11.2214 11.2909 6.2135 5.7633 5.7873 9.3658 8.2318 8.2093 8.2304 8.2180 9.1311 9.0950 4.8189 4.7710 8.2479 7.8611 7.8440 7.5316 7.6183 7.0927 7.1022 6.1996 6.5979 6.3313 6.3499 6.3771 6.2975 7.8341 4.4575 4.4908
28.8840 11.4558 0.0000 11.0230 11.3479 0.3535 0.3686 7.8182 9.5192 9.7535 5.0700 10.9339 10.9229 10.9425 11.0168 11.4402 11.4323 6.7571 6.6807 11.0444 7.5587 7.5204 11.7072 9.2523 12.1451 12.1467 10.8294 9.3098 12.3349 12.3151 13.1281 14.4872 11.1136 11.2074 11.2023
39.0615 8.2567 11.0230 0.0000 8.9018 10.0035 10.1505 7.7156 8.3285 8.4006 10.2331 0.1424 0.1439 0.1454 0.0256 2.2009 2.2072 5.2339 5.3117 0.0164 10.1182 10.3580 10.6995 3.9470 9.6706 9.6672 6.7360 9.5781 6.9624 7.3120 7.7697 7.7104 9.2920 9.2113 9.1882
46.2703 7.5901 11.3479 8.9018 0.0000 11.2321 11.4495 6.3078 6.4949 6.1629 8.0759 8.7935 8.7665 8.7760 8.8600 10.4393 10.4000 6.6031 6.6434 8.8939 6.9989 7.0090 7.0626 8.2338 6.7423 6.7249 4.6572 6.5671 4.8494 4.9700 4.8242 5.8298 7.6257 6.6139 6.6364
59.0908 11.2214 0.3535 10.0035 11.2321 0.0000 0.1173 7.8552 9.3971 9.8073 5.4538 10.9046 10.8722 10.8913 10.8872 11.8023 11.7939 7.2899 7.1457 10.8981 7.6684 7.6518 11.3853 9.5036 12.0598 12.0253 10.6834 8.6247 12.4324 12.3846 12.9583 14.3182 11.1330 11.2161 11.2187
69.1222 11.2909 0.3686 10.1505 11.4495 0.1173 0.0000 7.9137 9.4334 9.7981 5.4548 10.8646 10.8291 10.8472 10.8533 11.7966 11.7868 7.2130 7.1305 10.8654 7.7120 7.6843 11.3424 9.4643 11.9674 11.9682 10.8178 8.5207 12.3498 12.3308 13.0795 14.4337 10.9879 11.2561 11.2587
76.7101 6.2135 7.8182 7.7156 6.3078 7.8552 7.9137 0.0000 0.3394 0.4071 6.4334 8.1690 8.1432 8.1564 8.2408 10.0517 10.0288 5.5978 5.5699 8.2695 7.7827 7.7866 7.5621 8.6256 6.3313 6.3382 5.2864 5.3033 5.5201 5.4781 5.0462 5.3405 7.2942 4.6079 4.6310
86.7353 5.7633 9.5192 8.3285 6.4949 9.3971 9.4334 0.3394 0.0000 0.1121 6.6146 8.1778 8.1403 8.1538 8.2633 10.0778 10.0488 5.5728 5.5265 8.2963 7.5558 7.5533 7.5211 8.3827 6.1342 6.1345 5.1766 4.9383 5.4757 5.5109 4.9720 4.9364 7.0667 4.5702 4.5894
96.7200 5.7873 9.7535 8.4006 6.1629 9.8073 9.7981 0.4071 0.1121 0.0000 6.7935 8.0959 8.0734 8.0867 8.1801 10.0553 10.0292 5.5584 5.5136 8.2257 7.5196 7.5065 7.5304 8.3487 6.0989 6.1020 5.1353 4.9403 5.5054 5.5237 4.8754 5.0086 6.9743 4.5576 4.5768
127.2107 9.3658 5.0700 10.2331 8.0759 5.4538 5.4548 6.4334 6.6146 6.7935 0.0000 10.5048 10.4820 10.4980 10.5403 11.3691 11.3223 8.2417 8.0731 10.5249 7.6960 7.6664 9.7477 10.5461 8.6806 8.6848 7.6847 8.5260 8.8060 8.7452 9.2367 9.1687 10.5136 8.5140 8.4889
139.1278 8.2318 10.9339 0.1424 8.7935 10.9046 10.8646 8.1690 8.1778 8.0959 10.5048 0.0000 0.0205 0.0249 0.1235 2.2899 2.2884 5.2517 5.3864 0.1523 9.9250 9.5809 10.8350 3.9472 9.6710 9.6685 6.9448 9.6287 7.4564 7.6234 7.7293 7.7893 9.4262 9.1922 9.1698
149.0998 8.2093 10.9229 0.1439 8.7665 10.8722 10.8291 8.1432 8.1403 8.0734 10.4820 0.0205 0.0000 0.0052 0.1237 2.3204 2.3186 5.2136 5.3466 0.1547 9.8960 9.5572 10.8219 3.9382 9.6450 9.6407 6.7545 9.5774 7.4597 7.6223 7.6887 7.7610 9.4130 9.1664 9.1446
159.1124 8.2304 10.9425 0.1454 8.7760 10.8913 10.8472 8.1564 8.1538 8.0867 10.4980 0.0249 0.0052 0.0000 0.1248 2.3249 2.3238 5.2220 5.3555 0.1562 9.9128 9.5717 10.8378 3.9439 9.6612 9.6562 6.7635 9.5918 7.4798 7.6430 7.6975 7.7707 9.4255 9.1919 9.1699
169.0610 8.2180 11.0168 0.0256 8.8600 10.8872 10.8533 8.2408 8.2633 8.1801 10.5403 0.1235 0.1237 0.1248 0.0000 2.2725 2.2627 5.1997 5.2803 0.0338 10.1220 9.4602 10.7168 3.9545 9.7138 9.7107 6.6767 9.5642 7.0322 7.3706 7.7661 7.7995 9.3122 9.1993 9.1764
1710.8963 9.1311 11.4402 2.2009 10.4393 11.8023 11.7966 10.0517 10.0778 10.0553 11.3691 2.2899 2.3204 2.3249 2.2725 0.0000 0.0375 7.4634 7.4824 1.7802 10.4028 10.3927 11.4769 4.2671 8.4090 8.4049 8.6093 9.7828 5.6707 5.6250 8.6805 7.0847 10.5186 9.8603 9.8581
1810.8662 9.0950 11.4323 2.2072 10.4000 11.7939 11.7868 10.0288 10.0488 10.0292 11.3223 2.2884 2.3186 2.3238 2.2627 0.0375 0.0000 7.4423 7.4640 1.7806 10.3805 10.4310 11.4383 4.2401 8.3925 8.3888 8.5972 9.7944 5.7451 5.8058 8.6843 7.1444 10.5495 9.8490 9.8390
195.5308 4.8189 6.7571 5.2339 6.6031 7.2899 7.2130 5.5978 5.5728 5.5584 8.2417 5.2517 5.2136 5.2220 5.1997 7.4634 7.4423 0.0000 0.1881 5.1349 7.2960 7.2694 8.6115 3.0649 8.1544 8.1594 3.7942 6.1644 5.4645 5.4070 5.3713 5.1970 7.3022 5.9770 5.9822
205.3972 4.7710 6.6807 5.3117 6.6434 7.1457 7.1305 5.5699 5.5265 5.5136 8.0731 5.3864 5.3466 5.3555 5.2803 7.4824 7.4640 0.1881 0.0000 5.1830 6.8784 6.8526 8.4304 3.1955 7.8582 7.8626 3.6971 6.0736 5.3337 5.3427 5.1837 5.1212 7.0730 5.8006 5.7965
219.0715 8.2479 11.0444 0.0164 8.8939 10.8981 10.8654 8.2695 8.2963 8.2257 10.5249 0.1523 0.1547 0.1562 0.0338 1.7802 1.7806 5.1349 5.1830 0.0000 10.1560 9.8112 10.7021 3.9483 9.6891 9.6856 6.7608 9.6058 6.9472 7.3001 7.8135 7.8271 9.3141 9.2320 9.2085
221.6250 7.8611 7.5587 10.1182 6.9989 7.6684 7.7120 7.7827 7.5558 7.5196 7.6960 9.9250 9.8960 9.9128 10.1220 10.4028 10.3805 7.2960 6.8784 10.1560 0.0000 0.0623 6.0389 8.9901 7.2296 7.2282 4.7140 7.2528 4.4245 4.5174 5.7075 5.9483 4.6638 6.0712 6.0591
231.6217 7.8440 7.5204 10.3580 7.0090 7.6518 7.6843 7.7866 7.5533 7.5065 7.6664 9.5809 9.5572 9.5717 9.4602 10.3927 10.4310 7.2694 6.8526 9.8112 0.0623 0.0000 6.0376 8.9619 7.2088 7.2068 4.6745 7.2560 4.3608 4.4283 5.7023 5.9276 4.6865 6.0517 6.0365
244.9490 7.5316 11.7072 10.6995 7.0626 11.3853 11.3424 7.5621 7.5211 7.5304 9.7477 10.8350 10.8219 10.8378 10.7168 11.4769 11.4383 8.6115 8.4304 10.7021 6.0389 6.0376 0.0000 9.9871 6.8336 6.8334 6.0442 6.4053 5.9228 5.9121 5.8348 6.2417 6.4103 5.4755 5.4795
258.4718 7.6183 9.2523 3.9470 8.2338 9.5036 9.4643 8.6256 8.3827 8.3487 10.5461 3.9472 3.9382 3.9439 3.9545 4.2671 4.2401 3.0649 3.1955 3.9483 8.9901 8.9619 9.9871 0.0000 9.6131 9.6077 5.9797 8.1051 6.2831 6.4118 7.3546 6.5555 8.4355 8.2352 8.2393
266.5461 7.0927 12.1451 9.6706 6.7423 12.0598 11.9674 6.3313 6.1342 6.0989 8.6806 9.6710 9.6450 9.6612 9.7138 8.4090 8.3925 8.1544 7.8582 9.6891 7.2296 7.2088 6.8336 9.6131 0.0000 0.0326 4.5603 6.1667 5.4461 5.3901 5.0662 4.4726 8.0388 5.9517 5.9632
276.5410 7.1022 12.1467 9.6672 6.7249 12.0253 11.9682 6.3382 6.1345 6.1020 8.6848 9.6685 9.6407 9.6562 9.7107 8.4049 8.3888 8.1594 7.8626 9.6856 7.2282 7.2068 6.8334 9.6077 0.0326 0.0000 4.5612 6.1493 5.4505 5.3934 5.0662 4.4580 8.0229 5.9487 5.9596
283.7954 6.1996 10.8294 6.7360 4.6572 10.6834 10.8178 5.2864 5.1766 5.1353 7.6847 6.9448 6.7545 6.7635 6.6767 8.6093 8.5972 3.7942 3.6971 6.7608 4.7140 4.6745 6.0442 5.9797 4.5603 4.5612 0.0000 5.4196 4.2589 4.2300 4.3997 4.5996 7.9186 5.4385 5.4616
296.4518 6.5979 9.3098 9.5781 6.5671 8.6247 8.5207 5.3033 4.9383 4.9403 8.5260 9.6287 9.5774 9.5918 9.5642 9.7828 9.7944 6.1644 6.0736 9.6058 7.2528 7.2560 6.4053 8.1051 6.1667 6.1493 5.4196 0.0000 5.1667 5.1494 4.2734 4.6315 8.1443 4.6598 4.6869
304.5005 6.3313 12.3349 6.9624 4.8494 12.4324 12.3498 5.5201 5.4757 5.5054 8.8060 7.4564 7.4597 7.4798 7.0322 5.6707 5.7451 5.4645 5.3337 6.9472 4.4245 4.3608 5.9228 6.2831 5.4461 5.4505 4.2589 5.1667 0.0000 0.1731 4.0339 3.9673 6.8989 6.4146 6.4333
314.5225 6.3499 12.3151 7.3120 4.9700 12.3846 12.3308 5.4781 5.5109 5.5237 8.7452 7.6234 7.6223 7.6430 7.3706 5.6250 5.8058 5.4070 5.3427 7.3001 4.5174 4.4283 5.9121 6.4118 5.3901 5.3934 4.2300 5.1494 0.1731 0.0000 3.9749 4.0643 6.9279 6.3980 6.4100
324.8086 6.3771 13.1281 7.7697 4.8242 12.9583 13.0795 5.0462 4.9720 4.8754 9.2367 7.7293 7.6887 7.6975 7.7661 8.6805 8.6843 5.3713 5.1837 7.8135 5.7075 5.7023 5.8348 7.3546 5.0662 5.0662 4.3997 4.2734 4.0339 3.9749 0.0000 4.1287 6.5812 6.4942 6.5087
335.2235 6.2975 14.4872 7.7104 5.8298 14.3182 14.4337 5.3405 4.9364 5.0086 9.1687 7.7893 7.7610 7.7707 7.7995 7.0847 7.1444 5.1970 5.1212 7.8271 5.9483 5.9276 6.2417 6.5555 4.4726 4.4580 4.5996 4.6315 3.9673 4.0643 4.1287 0.0000 7.1103 5.9174 5.9429
344.9615 7.8341 11.1136 9.2920 7.6257 11.1330 10.9879 7.2942 7.0667 6.9743 10.5136 9.4262 9.4130 9.4255 9.3122 10.5186 10.5495 7.3022 7.0730 9.3141 4.6638 4.6865 6.4103 8.4355 8.0388 8.0229 7.9186 8.1443 6.8989 6.9279 6.5812 7.1103 0.0000 7.9580 7.9645
355.9668 4.4575 11.2074 9.2113 6.6139 11.2161 11.2561 4.6079 4.5702 4.5576 8.5140 9.1922 9.1664 9.1919 9.1993 9.8603 9.8490 5.9770 5.8006 9.2320 6.0712 6.0517 5.4755 8.2352 5.9517 5.9487 5.4385 4.6598 6.4146 6.3980 6.4942 5.9174 7.9580 0.0000 0.0675
365.9661 4.4908 11.2023 9.1882 6.6364 11.2187 11.2587 4.6310 4.5894 4.5768 8.4889 9.1698 9.1446 9.1699 9.1764 9.8581 9.8390 5.9822 5.7965 9.2085 6.0591 6.0365 5.4795 8.2393 5.9632 5.9596 5.4616 4.6869 6.4333 6.4100 6.5087 5.9429 7.9645 0.0675 0.0000