0 mol 25 unq 0 iso 0 dist 9.58408 9.07927 16.653 6.44262 16.0118 7.31767 8.50987 16.4918 4.51512 6.03987 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.58408 8.50987 16.4918 6.44262 16.0118 6.03987 9.07927 16.653 4.51512 7.31767 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 5.77748 9.02308 10.3287 4.98024 5.26018 7.34143 14.4551 12.8491 9.162 9.80098 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 7.62062 9.6112 6.03647 9.99897 7.1203 7.34143 13.5109 5.92851 9.162 9.80098 numMergedOcc 0
4 mol 52 unq 2 iso 0 dist 7.33436 6.08894 6.03647 6.01116 7.1203 7.34143 12.5042 5.92851 9.162 9.80098 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 5.97144 7.09258 6.12361 10.0936 6.7212 9.78528 13.592 11.6369 8.24309 9.96708 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 6.18717 7.09258 5.43672 10.0936 13.3713 9.78528 13.592 13.6461 8.24309 9.96708 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.72842 7.02792 7.68675 11.4302 11.3277 9.35224 10.3136 5.85449 7.80879 9.60661 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.72842 7.02792 7.68675 11.4302 11.3277 9.35224 14.4819 14.5809 8.87654 7.17106 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 5.72842 7.02792 7.68675 6.20162 5.70279 6.56369 9.16549 5.92158 12.6515 7.47343 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 5.72842 7.02792 7.68675 6.20162 5.70279 6.56369 10.3136 5.85449 7.80879 6.65086 numMergedOcc 0
11 mol 100 unq 4 iso 0 dist 5.72842 7.02792 7.68675 6.20162 5.70279 6.56369 12.1758 9.53223 6.39938 9.30209 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.98702 6.3982 5.47689 5.29965 6.55511 5.11551 11.6013 6.00348 6.5838 7.11972 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.91629 6.44766 5.29825 7.69184 12.0117 6.85062 14.5984 15.3291 10.7062 8.40312 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 8.91629 6.44766 5.29825 7.69184 12.0117 6.85062 12.0425 10.7111 6.63273 7.12972 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 6.03801 5.47189 8.61343 5.48717 5.16813 7.54065 11.9058 5.87924 13.8792 9.70748 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 6.03801 5.47189 8.61343 5.48717 5.16813 7.54065 10.1325 11.0854 5.74635 8.87694 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 7.68999 9.68636 5.65373 5.6419 5.00457 7.03423 7.81415 6.23084 6.84129 9.06952 numMergedOcc 0
18 mol 229 unq 1 iso 0 dist 7.68999 7.81415 6.23084 5.6419 5.00457 9.06952 9.68636 5.65373 6.84129 7.03423 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 8.70264 8.58958 7.01488 14.7629 11.3677 6.56247 7.17987 7.54044 5.88703 9.45496 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 8.70264 8.58958 7.01488 13.5847 12.8905 9.36357 7.17987 7.54044 5.88703 6.7625 numMergedOcc 0
21 mol 234 unq 2 iso 0 dist 8.70264 7.17987 7.54044 14.7629 11.3677 9.45496 8.58958 7.01488 5.88703 6.56247 numMergedOcc 0
22 mol 234 unq 3 iso 0 dist 8.70264 7.17987 7.54044 13.5847 12.8905 6.7625 8.58958 7.01488 5.88703 9.36357 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 9.4691 5.27188 9.23512 5.34337 7.26981 7.32223 10.4338 10.8952 7.25988 8.31064 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.65727 9.80417 15.3755 10.759 18.1419 6.60405 15.1916 22.2105 7.26417 6.42289 numMergedOcc 0
