0 mol 72 unq 0 iso 0 dist 5.97144 10.0936 6.7212 13.592 11.6369 9.96708 10.3867 12.3223 10.7394 8.8178 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.64939 9.86989 6.56728 17.3437 11.609 7.47541 14.1283 13.2962 6.9948 7.97049 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 9.64939 9.86989 6.56728 16.4418 13.5384 7.66905 16.3858 17.1838 10.7229 7.95579 numMergedOcc 0
3 mol 85 unq 2 iso 0 dist 9.64939 9.86989 6.56728 16.4418 13.5384 7.66905 14.1283 13.2962 6.9948 6.19965 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 5.72842 9.54828 8.96916 9.16549 5.92158 6.45675 6.20162 5.70279 5.33144 7.47343 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 5.72842 9.54828 8.96916 9.16549 5.92158 6.45675 6.87433 9.71692 9.71151 8.86688 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.72842 6.20162 5.70279 9.16549 5.92158 7.47343 9.54828 8.96916 5.33144 6.45675 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 5.72842 6.20162 5.70279 9.16549 5.92158 7.47343 6.87433 9.71692 10.1407 8.86688 numMergedOcc 0
8 mol 100 unq 4 iso 0 dist 5.72842 6.20162 5.70279 10.3136 5.85449 6.65086 11.4302 11.3277 5.88134 9.60661 numMergedOcc 0
9 mol 100 unq 5 iso 0 dist 5.72842 6.20162 5.70279 7.02792 7.68675 6.56369 11.4302 11.3277 5.88134 9.35224 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.98702 5.29965 6.55511 11.6013 6.00348 7.11972 15.2626 12.6252 10.498 6.90986 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.51581 5.56707 9.79004 11.2668 10.0277 7.24514 11.7112 14.9707 6.761 9.91388 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 8.51581 5.56707 9.79004 11.2668 10.0277 7.24514 12.4477 16.8376 7.6656 9.52634 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 8.51581 5.56707 9.79004 10.9887 7.33132 8.22656 6.63321 8.43069 5.61668 6.82262 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 8.51581 6.63321 8.43069 10.9887 7.33132 6.82262 5.56707 9.79004 5.61668 8.22656 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.34778 4.82239 5.16813 12.7343 11.0854 8.87694 10.0265 14.4578 9.50685 9.09754 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 6.03801 5.48717 5.16813 10.1325 11.0854 8.87694 11.9142 14.4578 9.50685 9.09754 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 7.68999 10.705 8.8557 9.68636 5.65373 8.22528 5.6419 5.00457 5.57838 7.03423 numMergedOcc 0
18 mol 229 unq 1 iso 0 dist 7.68999 5.6419 5.00457 9.68636 5.65373 7.03423 10.705 8.8557 5.57838 8.22528 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.73405 5.27652 4.87108 10.3089 7.45873 6.22714 6.88036 7.64276 5.34096 7.31233 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 9.73405 6.88036 7.64276 10.3089 7.45873 7.31233 5.27652 4.87108 5.34096 6.22714 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 9.4691 5.34337 7.26981 10.4338 10.8952 8.31064 11.9048 13.2486 8.02948 6.73034 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 8.1095 6.52684 7.31993 13.5287 10.4451 8.46116 10.228 12.3168 5.40809 8.33638 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 5.16952 5.58984 8.79189 6.97104 6.33662 6.87396 12.2532 13.9936 6.88557 9.8993 numMergedOcc 0
24 mol 276 unq 1 iso 0 dist 5.04414 6.58819 8.79189 8.63281 6.33662 6.87396 12.388 13.9936 6.88557 9.8993 numMergedOcc 0
