0 mol 21 unq 0 iso 0 dist 9.19322 9.76497 12.26 6.4912 7.30397 14.7785 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.88399 9.08536 6.08168 13.3625 8.3964 10.9641 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.25357 8.34763 7.30471 4.93307 8.61491 5.99176 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.25357 5.66008 6.91789 4.93307 8.61491 6.98583 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.66461 7.99735 10.9256 4.31769 8.68989 8.82709 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.81136 9.7516 10.9256 7.10894 8.68989 8.82709 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.22704 6.00684 10.1574 10.6702 9.22889 12.6483 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.27877 9.37034 4.74629 4.32784 9.18097 11.1537 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.27877 6.60091 7.39588 4.32784 9.18097 10.2791 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 7.09464 9.28353 6.61394 5.31326 7.78176 12.418 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 8.49761 5.58346 6.80479 5.27853 7.92221 8.3971 numMergedOcc 0
11 mol 116 unq 1 iso 0 dist 8.49761 7.09179 6.42183 5.27853 7.92221 6.74026 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 6.31546 9.5205 12.7481 4.18419 7.00113 10.7546 numMergedOcc 0
13 mol 125 unq 1 iso 0 dist 6.31546 9.5205 12.7481 7.15048 9.85979 8.74577 numMergedOcc 0
14 mol 125 unq 2 iso 0 dist 6.31546 7.1608 11.663 4.18419 7.00113 9.94322 numMergedOcc 0
15 mol 125 unq 3 iso 0 dist 6.31546 7.1608 11.663 7.15048 9.85979 9.7728 numMergedOcc 0
16 mol 128 unq 0 iso 0 dist 8.20389 6.49794 8.04676 10.2009 6.51968 13.4189 numMergedOcc 0
17 mol 128 unq 1 iso 0 dist 8.20389 6.49794 8.04676 7.34304 7.61237 8.73383 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 6.50096 9.46821 9.40355 6.3638 9.83883 12.1117 numMergedOcc 0
19 mol 233 unq 1 iso 0 dist 9.91416 8.52401 9.40355 6.52401 9.83883 12.1117 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 6.17408 6.70738 10.3685 12.4808 9.85821 17.8902 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 6.17602 8.55314 10.3685 13.9899 9.85821 17.8902 numMergedOcc 0
22 mol 247 unq 0 iso 0 dist 6.23164 9.1947 14.5242 4.46 6.29945 10.9108 numMergedOcc 0
23 mol 247 unq 1 iso 0 dist 6.23164 6.97395 7.01958 4.46 6.29945 8.54404 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 8.08479 9.87436 16.661 6.33919 6.77259 15.388 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 8.08479 7.27283 9.91179 6.33919 6.77259 7.53905 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 7.61357 9.79817 16.4761 6.58462 7.42529 14.6933 numMergedOcc 0
27 mol 280 unq 1 iso 0 dist 7.31523 8.71581 15.4348 9.27602 8.47055 16.36 numMergedOcc 0
28 mol 280 unq 2 iso 0 dist 8.67836 9.79817 15.4348 10.0954 8.47055 16.36 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 8.60635 8.17727 6.5975 6.25614 8.67838 9.5144 numMergedOcc 0
