0 mol 5 unq 0 iso 0 dist 9.58876 5.1274 5.18743 9.05086 8.68577 6.46777 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.58876 5.1274 5.18743 4.32004 8.13672 3.82801 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.51631 7.59475 6.82511 8.24064 7.7485 3.97203 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.58102 8.77467 5.91023 4.77009 6.5816 5.90092 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 7.09988 10.2302 4.99934 7.96442 8.88124 10.9097 numMergedOcc 0
5 mol 107 unq 1 iso 0 dist 7.09988 10.2302 4.99934 14.3565 8.19484 4.34186 numMergedOcc 0
6 mol 107 unq 2 iso 0 dist 7.73898 7.80415 4.99934 6.37998 8.88124 10.9097 numMergedOcc 0
7 mol 107 unq 3 iso 0 dist 7.73898 7.80415 4.99934 11.5335 8.19484 4.34186 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 6.61697 4.28385 9.00481 5.70681 5.31126 9.83939 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 6.61697 4.28385 9.00481 5.08157 7.16619 9.2752 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 6.36631 12.6498 6.38269 5.86518 5.31126 10.3017 numMergedOcc 0
11 mol 113 unq 3 iso 0 dist 6.36631 12.6498 6.38269 4.8668 4.49669 10.3632 numMergedOcc 0
12 mol 113 unq 4 iso 0 dist 6.36631 12.6498 6.38269 8.60367 6.00221 9.86085 numMergedOcc 0
13 mol 113 unq 5 iso 0 dist 6.24308 12.6498 7.11196 5.86518 7.16619 10.3017 numMergedOcc 0
14 mol 113 unq 6 iso 0 dist 6.24308 12.6498 7.11196 4.8668 5.88896 10.3632 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 8.0889 12.8264 8.31527 8.14689 7.84207 5.79975 numMergedOcc 0
16 mol 120 unq 1 iso 0 dist 8.0889 12.8264 8.31527 5.74365 8.56947 12.8646 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 6.85177 4.40805 9.3206 5.73931 5.10589 9.93901 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 8.29723 15.5881 9.28442 14.1573 8.30069 6.06113 numMergedOcc 0
19 mol 193 unq 1 iso 0 dist 8.29723 15.5881 9.28442 13.7342 8.83551 3.45561 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 9.32969 10.256 9.3032 7.35757 5.10542 12.2934 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 9.32969 16.2567 8.10451 7.35757 5.10542 11.2635 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 8.90109 4.12383 6.02628 8.71923 7.04263 5.30931 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 7.73997 4.8947 7.88615 9.39306 6.53598 10.6003 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 7.5689 13.6398 9.22428 6.06807 5.33372 9.75261 numMergedOcc 0
25 mol 281 unq 1 iso 0 dist 7.5689 13.6398 9.22428 9.10512 6.56886 10.564 numMergedOcc 0
26 mol 281 unq 2 iso 0 dist 7.5689 4.42659 7.95687 6.06807 5.33372 3.73592 numMergedOcc 0
27 mol 281 unq 3 iso 0 dist 7.5689 4.42659 7.95687 9.10512 6.56886 10.8606 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 5.80835 6.92022 4.97488 9.50643 8.07775 4.34603 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 5.80835 6.45352 8.80146 9.50643 8.07775 7.1411 numMergedOcc 0
