0 mol 0 unq 0 iso 0 dist 9.19007 7.02374 7.92928 4.99728 6.78251 5.92155 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.26831 10.3034 7.48645 6.40255 6.43144 5.92155 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 5.72491 10.789 9.55056 4.87279 7.12105 8.50789 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 5.72491 10.515 7.45262 4.87279 7.12105 7.58143 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 7.88043 12.2708 9.55056 10.6847 7.12105 8.50789 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 7.88043 6.06176 7.45262 10.6847 7.12105 7.58143 numMergedOcc 0
6 mol 8 unq 0 iso 0 dist 6.82379 13.7792 8.94096 9.6474 8.3997 6.84097 numMergedOcc 0
7 mol 8 unq 1 iso 0 dist 6.82379 15.4959 9.07858 9.6474 8.3997 14.5081 numMergedOcc 0
8 mol 8 unq 2 iso 0 dist 6.24978 10.6893 8.94096 6.6137 8.3997 6.84097 numMergedOcc 0
9 mol 8 unq 3 iso 0 dist 6.24978 12.0818 9.07858 6.6137 8.3997 14.5081 numMergedOcc 0
10 mol 8 unq 4 iso 0 dist 9.66439 13.8882 8.94096 11.1937 8.3997 6.84097 numMergedOcc 0
11 mol 8 unq 5 iso 0 dist 9.66439 11.4738 9.07858 11.1937 8.3997 14.5081 numMergedOcc 0
12 mol 8 unq 6 iso 0 dist 7.3915 12.8924 8.94096 13.6649 8.3997 6.84097 numMergedOcc 0
13 mol 8 unq 7 iso 0 dist 7.3915 4.85329 9.07858 13.6649 8.3997 14.5081 numMergedOcc 0
14 mol 9 unq 0 iso 0 dist 7.05346 13.5628 9.82483 4.86982 7.51584 15.0684 numMergedOcc 0
15 mol 13 unq 0 iso 0 dist 5.78148 13.1699 8.00865 14.0479 8.81649 5.47592 numMergedOcc 0
16 mol 13 unq 1 iso 0 dist 5.78148 11.1987 9.11447 14.0479 8.81649 14.0992 numMergedOcc 0
17 mol 13 unq 2 iso 0 dist 6.26071 10.5634 8.00865 10.9117 8.81649 5.47592 numMergedOcc 0
18 mol 13 unq 3 iso 0 dist 6.26071 12.0488 9.11447 10.9117 8.81649 14.0992 numMergedOcc 0
19 mol 13 unq 4 iso 0 dist 8.43325 8.66829 8.00865 7.43378 8.81649 5.47592 numMergedOcc 0
20 mol 13 unq 5 iso 0 dist 8.43325 14.2112 9.11447 7.43378 8.81649 14.0992 numMergedOcc 0
21 mol 56 unq 0 iso 0 dist 6.77886 10.9467 5.86571 11.2854 8.76402 4.59391 numMergedOcc 0
22 mol 56 unq 1 iso 0 dist 6.77886 10.9467 5.86571 5.19333 5.6727 8.7005 numMergedOcc 0
23 mol 94 unq 0 iso 0 dist 8.16733 8.20144 5.18655 4.47969 7.55497 5.34241 numMergedOcc 0
24 mol 94 unq 1 iso 0 dist 9.97569 11.997 5.18655 11.165 7.55497 5.34241 numMergedOcc 0
25 mol 154 unq 0 iso 0 dist 7.72144 13.9336 9.47362 15.8067 9.79706 6.38905 numMergedOcc 0
26 mol 154 unq 1 iso 0 dist 7.72144 13.9336 9.47362 12.4119 9.31487 13.1574 numMergedOcc 0
27 mol 154 unq 2 iso 0 dist 7.72144 6.53652 6.28417 15.8067 9.79706 14.4117 numMergedOcc 0
28 mol 154 unq 3 iso 0 dist 7.72144 6.53652 6.28417 12.4119 9.31487 8.94904 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 7.35824 11.1651 7.01126 5.32538 9.58615 10.9284 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 9.17364 11.1651 6.58434 5.32538 6.83568 10.9284 numMergedOcc 0
31 mol 178 unq 0 iso 0 dist 4.92088 5.25267 5.98771 6.39077 7.88301 4.74632 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 8.0144 14.8202 8.50907 5.37945 5.38027 9.80836 numMergedOcc 0
33 mol 204 unq 1 iso 0 dist 7.80841 7.0418 8.50907 7.39832 5.38027 9.80836 numMergedOcc 0
34 mol 210 unq 0 iso 0 dist 7.63018 10.9823 6.4829 12.1506 8.85757 8.36689 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 8.87609 5.06326 7.29542 9.42631 5.40513 9.68884 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 6.11473 4.23801 6.57207 12.0836 7.19006 10.4784 numMergedOcc 0
37 mol 264 unq 0 iso 0 dist 6.04162 8.16326 9.42738 8.59461 6.74637 4.59547 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 6.14323 12.3807 9.42738 11.697 6.74637 4.59547 numMergedOcc 0
