0 mol 33 unq 0 iso 0 dist 7.29974 4.76306 4.64187 3.16085 7.95437 4.43305 numMergedOcc 0
1 mol 33 unq 0 iso 1 dist 7.29974 3.16085 7.95437 4.76306 4.64187 4.43305 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.14248 5.50078 5.45099 11.6055 8.44765 6.98219 numMergedOcc 0
3 mol 76 unq 0 iso 1 dist 6.14248 11.6055 8.44765 5.50078 5.45099 6.98219 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 6.14248 5.50078 5.45099 13.5729 9.06643 8.74837 numMergedOcc 0
5 mol 76 unq 1 iso 1 dist 6.14248 13.5729 9.06643 5.50078 5.45099 8.74837 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 6.14248 11.6055 8.44765 13.5729 9.06643 4.82479 numMergedOcc 0
7 mol 76 unq 1 iso 1 dist 6.14248 13.5729 9.06643 11.6055 8.44765 4.82479 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 6.97936 11.6853 5.45099 15.0489 8.44765 6.98219 numMergedOcc 0
9 mol 76 unq 2 iso 1 dist 6.97936 15.0489 8.44765 11.6853 5.45099 6.98219 numMergedOcc 0
10 mol 76 unq 3 iso 0 dist 6.97936 11.6853 5.45099 14.2393 9.06643 8.74837 numMergedOcc 0
11 mol 76 unq 3 iso 1 dist 6.97936 14.2393 9.06643 11.6853 5.45099 8.74837 numMergedOcc 0
12 mol 76 unq 3 iso 0 dist 6.97936 15.0489 8.44765 14.2393 9.06643 4.82479 numMergedOcc 0
13 mol 76 unq 3 iso 1 dist 6.97936 14.2393 9.06643 15.0489 8.44765 4.82479 numMergedOcc 0
14 mol 76 unq 4 iso 0 dist 5.00466 4.94673 5.45099 5.78236 8.44765 6.98219 numMergedOcc 0
15 mol 76 unq 4 iso 1 dist 5.00466 5.78236 8.44765 4.94673 5.45099 6.98219 numMergedOcc 0
16 mol 76 unq 5 iso 0 dist 5.00466 4.94673 5.45099 4.73151 9.06643 8.74837 numMergedOcc 0
17 mol 76 unq 5 iso 1 dist 5.00466 4.73151 9.06643 4.94673 5.45099 8.74837 numMergedOcc 0
18 mol 76 unq 5 iso 0 dist 5.00466 5.78236 8.44765 4.73151 9.06643 4.82479 numMergedOcc 0
19 mol 76 unq 5 iso 1 dist 5.00466 4.73151 9.06643 5.78236 8.44765 4.82479 numMergedOcc 0
20 mol 79 unq 0 iso 0 dist 7.7288 6.59223 4.78333 4.09431 4.74254 5.63083 numMergedOcc 0
21 mol 79 unq 0 iso 1 dist 7.7288 4.09431 4.74254 6.59223 4.78333 5.63083 numMergedOcc 0
22 mol 79 unq 1 iso 0 dist 6.12663 12.0024 9.54696 5.78777 4.62636 7.64831 numMergedOcc 0
23 mol 79 unq 1 iso 1 dist 6.12663 5.78777 4.62636 12.0024 9.54696 7.64831 numMergedOcc 0
24 mol 107 unq 0 iso 0 dist 9.68222 8.41816 7.91251 15.3177 9.09262 13.5807 numMergedOcc 0
25 mol 107 unq 0 iso 1 dist 9.68222 15.3177 9.09262 8.41816 7.91251 13.5807 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 7.96541 9.69599 7.0961 7.91845 8.26768 5.29906 numMergedOcc 0
27 mol 168 unq 0 iso 1 dist 7.96541 7.91845 8.26768 9.69599 7.0961 5.29906 numMergedOcc 0
28 mol 198 unq 0 iso 0 dist 7.7619 5.46544 7.04521 6.14119 8.85265 3.09303 numMergedOcc 0
29 mol 198 unq 0 iso 1 dist 7.7619 6.14119 8.85265 5.46544 7.04521 3.09303 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 5.81438 10.6524 8.23717 9.88337 7.98864 2.95898 numMergedOcc 0
31 mol 204 unq 0 iso 1 dist 5.81438 9.88337 7.98864 10.6524 8.23717 2.95898 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.50586 4.51847 7.88986 10.9814 7.4185 13.0936 numMergedOcc 0
33 mol 205 unq 0 iso 1 dist 6.50586 10.9814 7.4185 4.51847 7.88986 13.0936 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 6.0155 10.4614 7.70062 9.84398 7.66702 2.86233 numMergedOcc 0
35 mol 214 unq 0 iso 1 dist 6.0155 9.84398 7.66702 10.4614 7.70062 2.86233 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 9.09697 14.9525 7.98132 16.5417 7.99036 5.10881 numMergedOcc 0
37 mol 224 unq 0 iso 1 dist 9.09697 16.5417 7.99036 14.9525 7.98132 5.10881 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 7.97711 5.34431 7.72861 8.39575 8.20376 11.938 numMergedOcc 0
39 mol 266 unq 0 iso 1 dist 7.97711 8.39575 8.20376 5.34431 7.72861 11.938 numMergedOcc 0
