0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 15.1647 8.41585 10.4545 10.4548 5.99459 5.33843 6.88805 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.64855 5.5336 7.0208 15.5387 9.58196 10.5465 11.3463 8.84686 5.8449 5.76302 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 8.64855 5.39895 7.28563 15.5387 9.58196 12.3645 11.3463 8.84686 8.29358 5.76302 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 7.37356 4.84965 8.51213 7.426 9.51761 11.0081 6.82841 5.65084 5.34733 12.6536 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 7.37356 4.84965 8.51213 7.53082 7.3094 11.3758 6.82841 5.65084 5.34733 9.36767 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.94828 7.11194 6.00307 14.2406 7.57578 7.95074 4.54526 4.79873 3.8857 10.2864 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.94828 7.11194 6.00307 14.2406 7.57578 7.95074 16.0229 9.48085 11.2808 5.18617 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 8.94828 7.11194 6.00307 15.6642 7.17969 10.3928 4.54526 4.79873 3.8857 11.4148 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 8.94828 7.11194 6.00307 15.6642 7.17969 10.3928 16.0229 9.48085 11.2808 5.68041 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 6.84521 5.00932 8.99509 5.84171 5.73819 8.14351 6.59001 6.66407 11.0512 5.07458 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 6.86713 11.5826 8.13273 10.3731 9.03572 6.56354 12.4753 8.27883 3.84897 4.99174 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 6.86713 11.5826 8.13273 10.3731 9.03572 6.56354 6.52247 5.75428 5.78182 4.46005 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 6.86713 11.5826 8.13273 10.3731 9.03572 6.56354 5.89506 8.57395 12.5746 8.28518 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 6.86713 11.5826 8.13273 10.3731 9.03572 6.56354 6.40728 9.85409 16.9294 15.917 numMergedOcc 0
14 mol 95 unq 4 iso 0 dist 6.86713 11.5826 8.13273 7.4052 8.83255 6.68919 12.4753 8.27883 3.84897 8.67311 numMergedOcc 0
15 mol 95 unq 5 iso 0 dist 6.86713 11.5826 8.13273 7.4052 8.83255 6.68919 6.52247 5.75428 5.78182 3.94293 numMergedOcc 0
16 mol 95 unq 6 iso 0 dist 6.86713 11.5826 8.13273 7.4052 8.83255 6.68919 5.89506 8.57395 12.5746 9.22202 numMergedOcc 0
17 mol 95 unq 7 iso 0 dist 6.86713 11.5826 8.13273 7.4052 8.83255 6.68919 6.40728 9.85409 16.9294 13.7484 numMergedOcc 0
18 mol 95 unq 8 iso 0 dist 6.86713 11.5826 8.13273 9.70895 8.03644 14.1434 12.4753 8.27883 3.84897 15.6249 numMergedOcc 0
19 mol 95 unq 9 iso 0 dist 6.86713 11.5826 8.13273 9.70895 8.03644 14.1434 6.52247 5.75428 5.78182 12.4896 numMergedOcc 0
20 mol 95 unq 10 iso 0 dist 6.86713 11.5826 8.13273 9.70895 8.03644 14.1434 5.89506 8.57395 12.5746 14.2178 numMergedOcc 0
21 mol 95 unq 11 iso 0 dist 6.86713 11.5826 8.13273 9.70895 8.03644 14.1434 6.40728 9.85409 16.9294 8.78079 numMergedOcc 0
22 mol 122 unq 0 iso 0 dist 8.47907 8.96396 8.054 9.75696 8.37808 9.57532 12.3287 6.00603 9.02961 6.15636 numMergedOcc 0
23 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 14.4072 6.69288 6.96904 12.8554 9.11204 3.95924 8.44333 numMergedOcc 0
24 mol 178 unq 1 iso 0 dist 8.04723 11.2444 7.14849 13.0519 6.43573 7.57303 12.8554 9.11204 3.95924 6.8202 numMergedOcc 0
25 mol 178 unq 2 iso 0 dist 8.04723 11.2444 7.14849 10.5681 7.17202 14.0459 12.8554 9.11204 3.95924 14.9499 numMergedOcc 0
26 mol 178 unq 3 iso 0 dist 8.04723 11.2444 7.14849 9.1499 8.81551 14.3001 12.8554 9.11204 3.95924 14.2467 numMergedOcc 0
27 mol 178 unq 4 iso 0 dist 8.04723 12.3996 8.63718 14.4072 6.69288 11.5509 12.8554 9.11204 12.5927 8.44333 numMergedOcc 0
28 mol 178 unq 5 iso 0 dist 8.04723 12.3996 8.63718 13.0519 6.43573 7.31401 12.8554 9.11204 12.5927 6.8202 numMergedOcc 0
29 mol 178 unq 6 iso 0 dist 8.04723 12.3996 8.63718 10.5681 7.17202 5.91018 12.8554 9.11204 12.5927 14.9499 numMergedOcc 0
30 mol 178 unq 7 iso 0 dist 8.04723 12.3996 8.63718 9.1499 8.81551 4.92895 12.8554 9.11204 12.5927 14.2467 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 8.97461 5.81253 5.99187 10.4685 6.22714 5.74685 17.3901 9.08509 13.6867 12.7938 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 8.97461 5.81253 5.99187 11.6506 7.31233 5.87189 17.3901 9.08509 13.6867 11.0772 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 7.80612 14.2037 8.69557 9.62983 8.23192 9.51148 11.091 7.10671 4.02386 5.74165 numMergedOcc 0
34 mol 243 unq 1 iso 0 dist 7.80612 14.2037 8.69557 9.62983 8.23192 9.51148 8.97902 8.67156 8.36019 9.89868 numMergedOcc 0
35 mol 243 unq 2 iso 0 dist 7.80612 4.72507 4.89168 9.62983 8.23192 6.50608 11.091 7.10671 6.41173 5.74165 numMergedOcc 0
36 mol 243 unq 3 iso 0 dist 7.80612 4.72507 4.89168 9.62983 8.23192 6.50608 8.97902 8.67156 5.7044 9.89868 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 7.23956 5.13652 9.64889 15.6875 9.7748 15.4648 8.60807 9.35539 5.36788 11.4555 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 7.23956 5.13652 9.64889 15.6875 9.7748 15.4648 10.3171 8.9682 15.23 17.6038 numMergedOcc 0
39 mol 277 unq 2 iso 0 dist 7.23956 5.13652 9.64889 15.6875 9.7748 15.4648 10.6814 6.92711 15.0167 14.772 numMergedOcc 0
