0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 10.4548 5.99459 5.33843 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.64855 5.5336 7.0208 11.3463 8.84686 5.8449 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 8.64855 5.39895 7.28563 11.3463 8.84686 8.29358 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 7.37356 4.84965 8.51213 6.82841 5.65084 5.34733 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.94828 7.11194 6.00307 4.54526 4.79873 3.8857 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.94828 7.11194 6.00307 16.0229 9.48085 11.2808 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.36524 9.05146 8.16494 10.0272 7.18022 4.71262 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 8.36524 9.05146 8.16494 6.65242 6.24711 4.28439 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 6.84521 5.00932 8.99509 6.59001 6.66407 11.0512 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 8.27156 11.3515 9.58156 7.751 6.9103 5.68713 numMergedOcc 0
10 mol 62 unq 1 iso 0 dist 8.27156 11.2658 7.59416 7.751 6.9103 3.78856 numMergedOcc 0
11 mol 89 unq 0 iso 0 dist 8.85873 5.19804 5.25504 10.8883 5.51831 5.72671 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 6.86713 11.5826 8.13273 12.4753 8.27883 3.84897 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 6.86713 11.5826 8.13273 6.52247 5.75428 5.78182 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 6.86713 11.5826 8.13273 5.89506 8.57395 12.5746 numMergedOcc 0
15 mol 95 unq 3 iso 0 dist 6.86713 11.5826 8.13273 6.40728 9.85409 16.9294 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 8.47907 8.96396 8.054 12.3287 6.00603 9.02961 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.94541 9.35663 8.75736 8.17498 9.00918 14.0091 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 8.94541 9.35663 8.75736 10.9758 7.99477 15.5753 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 8.94541 4.4033 6.76166 8.17498 9.00918 9.88169 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 8.94541 4.4033 6.76166 10.9758 7.99477 11.8593 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 7.30919 14.4662 8.75736 6.67639 9.00918 14.0091 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 7.30919 14.4662 8.75736 4.4987 7.99477 15.5753 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 7.30919 12.021 6.76166 6.67639 9.00918 9.88169 numMergedOcc 0
24 mol 134 unq 7 iso 0 dist 7.30919 12.021 6.76166 4.4987 7.99477 11.8593 numMergedOcc 0
25 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 12.8554 9.11204 3.95924 numMergedOcc 0
26 mol 178 unq 1 iso 0 dist 8.04723 12.3996 8.63718 12.8554 9.11204 12.5927 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.52413 15.6548 7.09426 6.21482 7.2793 12.6481 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 9.52413 15.6548 7.09426 6.47581 9.51091 13.7919 numMergedOcc 0
29 mol 186 unq 2 iso 0 dist 9.52413 15.6548 7.09426 16.7739 7.85184 3.97751 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 9.73691 9.92307 8.48081 5.23399 8.22569 12.2429 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 9.79816 12.3761 9.85348 15.4347 7.33709 9.15328 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 8.97461 5.81253 5.99187 17.3901 9.08509 13.6867 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 6.94654 11.7816 9.93378 3.55929 9.06592 13.7872 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 8.89487 5.81253 9.93378 12.7433 9.06592 13.7872 numMergedOcc 0
35 mol 243 unq 0 iso 0 dist 7.80612 14.2037 8.69557 11.091 7.10671 4.02386 numMergedOcc 0
36 mol 243 unq 1 iso 0 dist 7.80612 14.2037 8.69557 8.97902 8.67156 8.36019 numMergedOcc 0
37 mol 243 unq 2 iso 0 dist 7.80612 4.72507 4.89168 11.091 7.10671 6.41173 numMergedOcc 0
38 mol 243 unq 3 iso 0 dist 7.80612 4.72507 4.89168 8.97902 8.67156 5.7044 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 7.151 8.68474 6.70123 10.3171 9.57499 15.3157 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 7.23956 5.13652 9.64889 8.60807 9.35539 5.36788 numMergedOcc 0
41 mol 277 unq 2 iso 0 dist 7.23956 5.13652 9.64889 10.3171 8.9682 15.23 numMergedOcc 0
42 mol 277 unq 3 iso 0 dist 7.23956 5.13652 9.64889 10.6814 6.92711 15.0167 numMergedOcc 0
43 mol 277 unq 4 iso 0 dist 8.33977 13.3428 6.70123 5.04761 9.57499 15.3157 numMergedOcc 0
44 mol 284 unq 0 iso 0 dist 7.43241 15.2838 9.12551 11.847 5.83329 3.97057 numMergedOcc 0
