# Details of computing
0: BIDFUQ.cif
1: BIDFUQ01.cif
2: CUCYUV.cif
3: DAQXOL.cif
4: FOTYOE.cif
5: FOTYUK.cif
6: HALDOL.cif
7: HALDOL01.cif
8: HALDOL02.cif
9: HALOPB.cif
10: HOYXEA.cif
11: HOYXIE.cif
12: HOYXOK.cif
13: HOYXUQ.cif
14: HOYYAX.cif
15: HOYYEB.cif
16: HOYYIF.cif
17: HOYYOL.cif
18: MUJHIK.cif
19: WASRUG.cif
20: XOLHAJ.cif
21: XOLHEN.cif
22: XOLHIR.cif
23: XOLHOX.cif
24: XOLHUD.cif
25: XOLJAL.cif
26: XOLJIT.cif
27: XOLJOZ.cif
28: XOLJOZ01.cif
29: YAJGUO.cif
30: YANMUW.cif
31: YANMUW01.cif
-------------------------------------
| | 0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | 24 | 25 | 26 | 27 | 28 | 29 | 30 | 31 |
| 0 | 0.0000 |
0.1872 |
135.8078 |
86.6291 |
131.7169 |
125.8739 |
143.6094 |
143.3635 |
142.7049 |
1.0989 |
93.5286 |
141.1195 |
136.8000 |
129.5216 |
142.2825 |
129.0105 |
102.7715 |
110.6672 |
131.0070 |
123.8201 |
138.4037 |
138.7875 |
122.6324 |
133.9457 |
139.5975 |
92.7402 |
129.6149 |
108.2191 |
121.6485 |
96.1266 |
113.3911 |
132.1394 |
| 1 | 0.1872 |
0.0000 |
136.2266 |
87.4117 |
132.7565 |
126.1202 |
144.0059 |
143.6932 |
143.3654 |
1.7619 |
89.1617 |
143.0532 |
135.8176 |
132.3035 |
142.5434 |
129.1725 |
103.1216 |
108.7480 |
131.9451 |
124.8542 |
137.9086 |
136.5506 |
119.8068 |
134.5025 |
135.8427 |
95.2049 |
128.7719 |
110.0834 |
116.3680 |
98.9155 |
118.5608 |
137.5604 |
| 2 | 135.8078 |
136.2266 |
0.0000 |
136.6798 |
143.6252 |
151.9659 |
110.4353 |
112.5926 |
110.5459 |
143.1885 |
121.9541 |
48.0480 |
77.0420 |
137.9830 |
80.8958 |
145.5439 |
135.3175 |
141.1735 |
154.6343 |
150.5897 |
141.6234 |
148.0790 |
158.8643 |
154.6727 |
155.6446 |
130.9165 |
153.6327 |
136.9427 |
147.1539 |
150.7584 |
116.9757 |
142.1841 |
| 3 | 86.6291 |
87.4117 |
136.6798 |
0.0000 |
102.0285 |
107.9532 |
106.5068 |
104.8446 |
114.5244 |
83.1196 |
125.6715 |
130.1644 |
111.4317 |
120.2043 |
124.4581 |
125.6612 |
126.2135 |
119.0805 |
90.1050 |
120.3095 |
96.5367 |
86.4752 |
101.4295 |
104.3762 |
107.9265 |
111.4126 |
114.8600 |
116.0948 |
121.1485 |
140.3866 |
81.0838 |
132.5464 |
| 4 | 131.7169 |
132.7565 |
143.6252 |
102.0285 |
0.0000 |
95.6627 |
118.8854 |
106.4593 |
120.4679 |
130.5775 |
134.5450 |
153.4486 |
119.3509 |
116.9630 |
106.2585 |
125.9569 |
120.2310 |
104.0421 |
138.4324 |
131.4009 |
128.4706 |
126.4627 |
124.8122 |
93.4937 |
99.3572 |
135.0835 |
113.2075 |
116.5274 |
105.8653 |
103.9158 |
136.9650 |
137.5117 |
| 5 | 125.8739 |
126.1202 |
151.9659 |
107.9532 |
95.6627 |
0.0000 |
117.3756 |
115.0779 |
118.9842 |
134.0287 |
117.2563 |
132.9337 |
142.6410 |
125.5253 |
144.4812 |
111.4319 |
114.1257 |
102.6422 |
93.7849 |
118.8119 |
125.6679 |
122.2173 |
102.8304 |
101.8095 |
105.0660 |
123.2113 |
85.4564 |
131.9385 |
116.9621 |
67.4756 |
106.5987 |
125.1744 |
| 6 | 143.6094 |
144.0059 |
110.4353 |
106.5068 |
118.8854 |
117.3756 |
0.0000 |
0.0199 |
0.1186 |
122.8594 |
122.2058 |
107.0700 |
137.4426 |
132.0659 |
133.0529 |
107.1060 |
127.2016 |
108.8463 |
104.9442 |
106.2301 |
127.0868 |
135.8730 |
101.5926 |
108.4550 |
107.3634 |
120.7591 |
86.1870 |
119.0969 |
104.3212 |
86.3092 |
120.6860 |
134.0145 |
| 7 | 143.3635 |
143.6932 |
112.5926 |
104.8446 |
106.4593 |
115.0779 |
0.0199 |
0.0000 |
0.1246 |
124.4070 |
121.6047 |
106.9969 |
137.6383 |
132.3227 |
133.3357 |
107.1733 |
127.8709 |
106.0291 |
106.2280 |
106.4360 |
127.2041 |
136.0917 |
101.5840 |
108.4996 |
107.3554 |
120.8765 |
85.9072 |
118.7329 |
104.3722 |
86.4381 |
120.9794 |
133.7505 |
| 8 | 142.7049 |
143.3654 |
110.5459 |
114.5244 |
120.4679 |
118.9842 |
0.1186 |
0.1246 |
0.0000 |
124.4521 |
126.9449 |
107.3197 |
137.2460 |
134.2304 |
132.3344 |
110.9219 |
127.0577 |
103.4019 |
108.1591 |
106.2067 |
126.7274 |
135.9196 |
100.3541 |
109.8850 |
109.3261 |
118.8999 |
87.2138 |
117.2348 |
103.4824 |
88.3647 |
119.6955 |
136.3974 |
| 9 | 1.0989 |
1.7619 |
143.1885 |
83.1196 |
130.5775 |
134.0287 |
122.8594 |
124.4070 |
124.4521 |
0.0000 |
109.4665 |
138.0305 |
133.3810 |
128.8908 |
140.1672 |
129.9221 |
119.3680 |
117.5615 |
130.7514 |
121.1530 |
134.5522 |
139.6799 |
134.0015 |
146.6392 |
148.6915 |
87.3054 |
134.7438 |
105.1935 |
138.9073 |
109.9690 |
107.9017 |
132.2272 |
| 10 | 93.5286 |
89.1617 |
121.9541 |
125.6715 |
134.5450 |
117.2563 |
122.2058 |
121.6047 |
126.9449 |
109.4665 |
0.0000 |
128.4553 |
137.3861 |
156.1851 |
151.0948 |
128.6833 |
123.5716 |
144.4102 |
106.8686 |
124.5555 |
93.6584 |
98.8390 |
100.3807 |
110.8428 |
107.9700 |
74.1712 |
128.2371 |
142.3772 |
101.2750 |
142.1355 |
148.7785 |
143.3032 |
| 11 | 141.1195 |
143.0532 |
48.0480 |
130.1644 |
153.4486 |
132.9337 |
107.0700 |
106.9969 |
107.3197 |
138.0305 |
128.4553 |
0.0000 |
15.6913 |
180.1458 |
13.3856 |
158.9986 |
157.5637 |
140.6347 |
155.2550 |
155.4384 |
162.3739 |
154.1817 |
159.8589 |
156.3833 |
154.8917 |
158.7377 |
157.6752 |
161.9544 |
153.5233 |
156.1373 |
139.9155 |
139.0021 |
| 12 | 136.8000 |
135.8176 |
77.0420 |
111.4317 |
119.3509 |
142.6410 |
137.4426 |
137.6383 |
137.2460 |
133.3810 |
137.3861 |
15.6913 |
0.0000 |
179.5552 |
0.8534 |
157.8017 |
157.4244 |
142.0133 |
152.5155 |
155.4319 |
159.9010 |
152.5999 |
158.3560 |
153.8928 |
154.6292 |
155.7965 |
159.5245 |
159.8465 |
154.8090 |
158.8844 |
140.7083 |
135.3794 |
| 13 | 129.5216 |
132.3035 |
137.9830 |
120.2043 |
116.9630 |
125.5253 |
132.0659 |
132.3227 |
134.2304 |
128.8908 |
156.1851 |
180.1458 |
179.5552 |
0.0000 |
160.6160 |
118.7097 |
137.4597 |
144.1143 |
154.9243 |
139.9987 |
103.7334 |
115.4909 |
150.6648 |
124.4713 |
134.3307 |
148.6313 |
163.9894 |
133.7289 |
137.6092 |
137.2996 |
126.6575 |
141.5764 |
| 14 | 142.2825 |
142.5434 |
80.8958 |
124.4581 |
106.2585 |
144.4812 |
133.0529 |
133.3357 |
132.3344 |
140.1672 |
151.0948 |
13.3856 |
0.8534 |
160.6160 |
0.0000 |
157.7471 |
158.1273 |
143.0644 |
153.5359 |
156.6867 |
160.9322 |
153.4588 |
158.8587 |
153.9557 |
154.1264 |
158.3589 |
160.1565 |
161.1037 |
155.2927 |
159.4479 |
140.9662 |
137.0483 |
| 15 | 129.0105 |
129.1725 |
145.5439 |
125.6612 |
125.9569 |
111.4319 |
107.1060 |
107.1733 |
110.9219 |
129.9221 |
128.6833 |
158.9986 |
157.8017 |
118.7097 |
157.7471 |
0.0000 |
137.2834 |
146.5030 |
134.2990 |
142.2093 |
114.7325 |
89.9851 |
143.6568 |
114.2970 |
120.9811 |
133.6570 |
131.3383 |
129.9440 |
128.5167 |
141.3759 |
121.5514 |
154.0995 |
| 16 | 102.7715 |
103.1216 |
135.3175 |
126.2135 |
120.2310 |
114.1257 |
127.2016 |
127.8709 |
127.0577 |
119.3680 |
123.5716 |
157.5637 |
157.4244 |
137.4597 |
158.1273 |
137.2834 |
0.0000 |
130.2363 |
128.6162 |
113.0026 |
108.9545 |
114.3416 |
93.2836 |
106.1757 |
114.6800 |
99.8622 |
100.6645 |
101.5473 |
123.3722 |
123.4589 |
120.5953 |
135.6119 |
| 17 | 110.6672 |
108.7480 |
141.1735 |
119.0805 |
104.0421 |
102.6422 |
108.8463 |
106.0291 |
103.4019 |
117.5615 |
144.4102 |
140.6347 |
142.0133 |
144.1143 |
143.0644 |
146.5030 |
130.2363 |
0.0000 |
104.9271 |
98.3413 |
134.5005 |
130.0534 |
114.2444 |
133.6566 |
125.0555 |
91.7077 |
114.2838 |
123.8874 |
97.7440 |
66.6234 |
89.9111 |
131.9542 |
| 18 | 131.0070 |
131.9451 |
154.6343 |
90.1050 |
138.4324 |
93.7849 |
104.9442 |
106.2280 |
108.1591 |
130.7514 |
106.8686 |
155.2550 |
152.5155 |
154.9243 |
153.5359 |
134.2990 |
128.6162 |
104.9271 |
0.0000 |
87.7595 |
93.8286 |
93.8297 |
97.8922 |
89.6653 |
91.7453 |
116.2118 |
92.9044 |
126.7259 |
63.2515 |
92.8643 |
125.3687 |
98.1750 |
| 19 | 123.8201 |
124.8542 |
150.5897 |
120.3095 |
131.4009 |
118.8119 |
106.2301 |
106.4360 |
106.2067 |
121.1530 |
124.5555 |
155.4384 |
155.4319 |
139.9987 |
156.6867 |
142.2093 |
113.0026 |
98.3413 |
87.7595 |
0.0000 |
100.3883 |
97.1975 |
78.4833 |
99.0382 |
84.6843 |
104.6668 |
83.3686 |
118.6106 |
83.1846 |
103.2909 |
129.7954 |
127.1969 |
| 20 | 138.4037 |
137.9086 |
141.6234 |
96.5367 |
128.4706 |
125.6679 |
127.0868 |
127.2041 |
126.7274 |
134.5522 |
93.6584 |
162.3739 |
159.9010 |
103.7334 |
160.9322 |
114.7325 |
108.9545 |
134.5005 |
93.8286 |
100.3883 |
0.0000 |
24.0510 |
104.9325 |
89.1449 |
86.8823 |
129.2202 |
127.3998 |
145.4933 |
113.8734 |
124.2082 |
128.9548 |
121.4391 |
| 21 | 138.7875 |
136.5506 |
148.0790 |
86.4752 |
126.4627 |
122.2173 |
135.8730 |
136.0917 |
135.9196 |
139.6799 |
98.8390 |
154.1817 |
152.5999 |
115.4909 |
153.4588 |
89.9851 |
114.3416 |
130.0534 |
93.8297 |
97.1975 |
24.0510 |
0.0000 |
107.7600 |
90.8070 |
94.2550 |
127.5631 |
127.6521 |
133.2513 |
121.0371 |
132.2654 |
143.0680 |
111.3695 |
| 22 | 122.6324 |
119.8068 |
158.8643 |
101.4295 |
124.8122 |
102.8304 |
101.5926 |
101.5840 |
100.3541 |
134.0015 |
100.3807 |
159.8589 |
158.3560 |
150.6648 |
158.8587 |
143.6568 |
93.2836 |
114.2444 |
97.8922 |
78.4833 |
104.9325 |
107.7600 |
0.0000 |
33.2583 |
35.7008 |
110.7501 |
111.1075 |
140.4881 |
81.4261 |
118.1495 |
138.8219 |
115.6886 |
| 23 | 133.9457 |
134.5025 |
154.6727 |
104.3762 |
93.4937 |
101.8095 |
108.4550 |
108.4996 |
109.8850 |
146.6392 |
110.8428 |
156.3833 |
153.8928 |
124.4713 |
153.9557 |
114.2970 |
106.1757 |
133.6566 |
89.6653 |
99.0382 |
89.1449 |
90.8070 |
33.2583 |
0.0000 |
1.2384 |
133.7732 |
97.8713 |
127.6702 |
95.3936 |
95.3642 |
115.5630 |
117.1575 |
| 24 | 139.5975 |
135.8427 |
155.6446 |
107.9265 |
99.3572 |
105.0660 |
107.3634 |
107.3554 |
109.3261 |
148.6915 |
107.9700 |
154.8917 |
154.6292 |
134.3307 |
154.1264 |
120.9811 |
114.6800 |
125.0555 |
91.7453 |
84.6843 |
86.8823 |
94.2550 |
35.7008 |
1.2384 |
0.0000 |
137.6311 |
88.1948 |
142.6811 |
93.0233 |
118.1959 |
137.4511 |
123.1322 |
| 25 | 92.7402 |
95.2049 |
130.9165 |
111.4126 |
135.0835 |
123.2113 |
120.7591 |
120.8765 |
118.8999 |
87.3054 |
74.1712 |
158.7377 |
155.7965 |
148.6313 |
158.3589 |
133.6570 |
99.8622 |
91.7077 |
116.2118 |
104.6668 |
129.2202 |
127.5631 |
110.7501 |
133.7732 |
137.6311 |
0.0000 |
133.6622 |
82.5817 |
114.0880 |
101.6620 |
82.9615 |
106.7906 |
| 26 | 129.6149 |
128.7719 |
153.6327 |
114.8600 |
113.2075 |
85.4564 |
86.1870 |
85.9072 |
87.2138 |
134.7438 |
128.2371 |
157.6752 |
159.5245 |
163.9894 |
160.1565 |
131.3383 |
100.6645 |
114.2838 |
92.9044 |
83.3686 |
127.3998 |
127.6521 |
111.1075 |
97.8713 |
88.1948 |
133.6622 |
0.0000 |
112.2776 |
64.3043 |
73.3848 |
146.8111 |
134.7229 |
| 27 | 108.2191 |
110.0834 |
136.9427 |
116.0948 |
116.5274 |
131.9385 |
119.0969 |
118.7329 |
117.2348 |
105.1935 |
142.3772 |
161.9544 |
159.8465 |
133.7289 |
161.1037 |
129.9440 |
101.5473 |
123.8874 |
126.7259 |
118.6106 |
145.4933 |
133.2513 |
140.4881 |
127.6702 |
142.6811 |
82.5817 |
112.2776 |
0.0000 |
132.5139 |
117.8911 |
113.9594 |
128.5025 |
| 28 | 121.6485 |
116.3680 |
147.1539 |
121.1485 |
105.8653 |
116.9621 |
104.3212 |
104.3722 |
103.4824 |
138.9073 |
101.2750 |
153.5233 |
154.8090 |
137.6092 |
155.2927 |
128.5167 |
123.3722 |
97.7440 |
63.2515 |
83.1846 |
113.8734 |
121.0371 |
81.4261 |
95.3936 |
93.0233 |
114.0880 |
64.3043 |
132.5139 |
0.0000 |
84.0213 |
141.0850 |
118.2848 |
| 29 | 96.1266 |
98.9155 |
150.7584 |
140.3866 |
103.9158 |
67.4756 |
86.3092 |
86.4381 |
88.3647 |
109.9690 |
142.1355 |
156.1373 |
158.8844 |
137.2996 |
159.4479 |
141.3759 |
123.4589 |
66.6234 |
92.8643 |
103.2909 |
124.2082 |
132.2654 |
118.1495 |
95.3642 |
118.1959 |
101.6620 |
73.3848 |
117.8911 |
84.0213 |
0.0000 |
109.6559 |
128.1741 |
| 30 | 113.3911 |
118.5608 |
116.9757 |
81.0838 |
136.9650 |
106.5987 |
120.6860 |
120.9794 |
119.6955 |
107.9017 |
148.7785 |
139.9155 |
140.7083 |
126.6575 |
140.9662 |
121.5514 |
120.5953 |
89.9111 |
125.3687 |
129.7954 |
128.9548 |
143.0680 |
138.8219 |
115.5630 |
137.4511 |
82.9615 |
146.8111 |
113.9594 |
141.0850 |
109.6559 |
0.0000 |
139.3003 |
| 31 | 132.1394 |
137.5604 |
142.1841 |
132.5464 |
137.5117 |
125.1744 |
134.0145 |
133.7505 |
136.3974 |
132.2272 |
143.3032 |
139.0021 |
135.3794 |
141.5764 |
137.0483 |
154.0995 |
135.6119 |
131.9542 |
98.1750 |
127.1969 |
121.4391 |
111.3695 |
115.6886 |
117.1575 |
123.1322 |
106.7906 |
134.7229 |
128.5025 |
118.2848 |
128.1741 |
139.3003 |
0.0000 |