0 mol 11 unq 0 iso 0 dist 5.47299 12.6523 9.81983 11.9176 6.76736 7.98326 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.47299 12.6523 9.81983 18.2035 13.5186 7.90478 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 6.64199 13.5569 8.26398 17.2477 11.3153 7.92012 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.90155 13.9821 8.26398 17.7963 11.3153 7.92012 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.70325 5.60332 9.82851 10.2205 12.335 7.35861 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 6.70325 7.30207 9.11311 11.2685 12.5394 6.56527 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 8.38624 5.74722 9.42876 8.23202 6.64571 8.0543 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.55284 12.3426 5.7836 8.50475 3.50984 8.29857 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.36877 11.2238 5.7836 7.66163 3.50984 8.29857 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 9.74553 5.84184 5.72703 11.8072 12.5721 8.19993 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 6.89752 11.0606 5.82264 7.1796 3.65036 8.19993 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 9.24708 9.14473 8.75957 13.457 10.1455 9.17082 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 6.64921 4.39227 8.84225 5.72627 4.37918 8.03296 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 6.64921 4.39227 8.84225 7.68741 9.08423 5.82754 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 6.64921 4.39227 8.84225 9.76351 6.29733 8.87742 numMergedOcc 0
15 mol 79 unq 3 iso 0 dist 6.64921 8.32896 6.72546 5.72627 4.37918 9.26979 numMergedOcc 0
16 mol 79 unq 4 iso 0 dist 6.64921 8.32896 6.72546 7.68741 9.08423 9.05679 numMergedOcc 0
17 mol 79 unq 5 iso 0 dist 6.64921 8.32896 6.72546 9.76351 6.29733 4.93468 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 7.34765 8.25083 8.47526 9.75061 4.94367 5.87084 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 5.28634 4.1584 4.92382 13.1958 13.8739 9.83945 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 9.45199 4.89551 9.30179 11.4714 8.74744 7.95359 numMergedOcc 0
21 mol 244 unq 1 iso 0 dist 9.45199 4.89551 9.30179 10.2667 13.2473 6.22122 numMergedOcc 0
22 mol 244 unq 2 iso 0 dist 9.07512 4.89551 6.10489 11.4714 5.98501 7.95359 numMergedOcc 0
23 mol 244 unq 3 iso 0 dist 9.07512 4.89551 6.10489 10.2667 10.1665 6.22122 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 7.44294 10.3756 9.23909 9.74449 7.27053 4.98734 numMergedOcc 0
25 mol 256 unq 1 iso 0 dist 7.44294 10.3756 9.23909 9.2056 4.26681 6.33496 numMergedOcc 0
26 mol 256 unq 2 iso 0 dist 7.44294 7.80559 9.16597 9.2056 4.26681 7.81448 numMergedOcc 0
