0 mol 17 unq 0 iso 0 dist 7.30541 8.58468 5.67737 7.18716 9.78953 11.7258 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.30541 9.83791 8.56005 7.18716 9.78953 12.3727 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 7.30541 7.95007 8.04504 7.18716 9.78953 13.7445 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 9.19322 9.76497 12.26 8.7443 13.678 3.36756 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.66461 7.99735 10.9256 6.77802 5.29743 9.165 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.81136 9.7516 10.9256 9.48328 8.75048 13.4515 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.22704 6.00684 10.1574 6.29267 6.51961 4.15002 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 9.22704 6.00684 10.1574 9.64361 9.91821 8.46282 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.27877 9.37034 4.74629 8.15861 6.90443 4.8069 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.27877 9.37034 4.74629 9.27814 12.641 17.0484 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 6.27877 6.60091 7.39588 8.15861 6.90443 10.0178 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 6.27877 6.60091 7.39588 9.27814 12.641 14.189 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 9.18095 9.11115 9.61282 9.98215 6.85215 8.58501 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 8.10965 9.42064 8.17578 9.75833 5.28796 10.1277 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 7.39303 5.56645 8.55838 6.40989 5.21343 4.37072 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 8.49761 5.58346 6.80479 6.98134 11.193 8.89777 numMergedOcc 0
16 mol 116 unq 1 iso 0 dist 8.49761 7.09179 6.42183 6.98134 11.193 12.5145 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 6.50096 9.46821 9.40355 6.45095 5.02086 12.8448 numMergedOcc 0
18 mol 233 unq 1 iso 0 dist 8.27169 7.91999 12.4027 8.7499 12.2453 5.38659 numMergedOcc 0
19 mol 255 unq 0 iso 0 dist 5.84157 6.94032 8.5214 8.66655 11.3884 4.9727 numMergedOcc 0
20 mol 255 unq 1 iso 0 dist 5.84157 5.53395 4.03201 8.66655 11.3884 10.1167 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 8.88518 6.77021 14.8337 4.98907 13.3447 5.05766 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 9.4961 9.87436 13.2572 9.2684 15.5294 13.2589 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 9.4961 7.27283 11.8672 9.2684 15.5294 3.90822 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 8.08479 9.87436 16.661 9.2684 12.1427 13.2589 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 8.08479 7.27283 9.91179 9.2684 12.1427 3.90822 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 9.16563 8.57375 9.83224 7.17276 5.01922 7.97597 numMergedOcc 0
