0 mol 52 unq 0 iso 0 dist 5.77748 9.02308 10.3287 4.98024 5.26018 7.34143 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.62062 9.6112 6.03647 9.99897 7.1203 7.34143 numMergedOcc 0
2 mol 52 unq 2 iso 0 dist 7.33436 6.08894 6.03647 6.01116 7.1203 7.34143 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 5.97144 7.09258 6.12361 10.0936 6.7212 9.78528 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 5.97144 7.09258 6.12361 9.19838 9.08821 12.4486 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 5.72842 7.02792 7.68675 9.54828 8.96916 11.8665 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 5.72842 7.02792 7.68675 6.20162 5.70279 6.56369 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 7.58293 5.79411 5.09542 6.03768 9.84673 7.36792 numMergedOcc 0
8 mol 102 unq 1 iso 0 dist 7.58293 9.9404 6.14255 6.03768 9.84673 12.8376 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 8.60424 9.34456 7.41343 4.83846 9.08014 5.86073 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.98702 6.61066 12.4408 5.29965 6.55511 11.5333 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 8.98702 6.3982 5.47689 5.29965 6.55511 5.11551 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 7.11542 7.24785 6.93557 10.0779 9.90787 10.0102 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 6.43834 7.53287 6.93557 4.98771 9.90787 10.0102 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.03801 5.47189 8.61343 5.48717 5.16813 7.54065 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 7.68999 9.68636 5.65373 10.705 8.8557 8.22528 numMergedOcc 0
16 mol 229 unq 1 iso 0 dist 7.68999 9.68636 5.65373 5.6419 5.00457 7.03423 numMergedOcc 0
17 mol 229 unq 2 iso 0 dist 7.68999 7.81415 6.23084 10.705 8.8557 13.2905 numMergedOcc 0
18 mol 229 unq 3 iso 0 dist 7.68999 7.81415 6.23084 5.6419 5.00457 9.06952 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.8444 9.94587 5.33697 4.3284 6.06422 6.57393 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 9.73405 9.94587 17.5803 5.27652 4.87108 13.1053 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 9.73405 9.94587 17.5803 6.88036 7.64276 11.101 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 9.4691 5.27188 9.23512 5.34337 7.26981 7.32223 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 5.16952 6.97104 6.33662 5.58984 8.79189 6.87396 numMergedOcc 0
24 mol 276 unq 1 iso 0 dist 5.04414 8.63281 6.33662 6.58819 8.79189 6.87396 numMergedOcc 0
