0 mol 95 unq 0 iso 0 dist 6.47401 6.54247 5.65411 7.94986 8.67367 11.9772 numMergedOcc 0
1 mol 113 unq 0 iso 0 dist 8.94447 6.36631 5.09579 12.7099 6.81812 9.4359 numMergedOcc 0
2 mol 113 unq 1 iso 0 dist 8.94447 6.24308 5.46299 12.7099 6.81812 11.2964 numMergedOcc 0
3 mol 113 unq 2 iso 0 dist 8.94447 6.66182 13.5892 12.7099 6.81812 18.816 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 9.80337 8.87379 5.87751 10.3931 7.34519 5.39356 numMergedOcc 0
5 mol 127 unq 1 iso 0 dist 9.80337 8.87379 5.87751 5.84594 8.58999 5.01504 numMergedOcc 0
6 mol 127 unq 2 iso 0 dist 9.80337 8.87379 5.87751 5.0826 6.63981 6.80627 numMergedOcc 0
7 mol 184 unq 0 iso 0 dist 7.09847 9.98096 7.71503 4.59843 9.52936 11.0396 numMergedOcc 0
8 mol 184 unq 1 iso 0 dist 7.09847 9.98096 7.71503 5.66847 9.15417 14.0549 numMergedOcc 0
9 mol 184 unq 2 iso 0 dist 7.09847 8.24035 4.11581 4.59843 9.52936 9.84566 numMergedOcc 0
10 mol 184 unq 3 iso 0 dist 7.09847 8.24035 4.11581 5.66847 9.15417 11.546 numMergedOcc 0
11 mol 184 unq 4 iso 0 dist 7.09847 8.77932 12.4034 4.59843 9.52936 8.22001 numMergedOcc 0
12 mol 184 unq 5 iso 0 dist 7.09847 8.77932 12.4034 5.66847 9.15417 13.1877 numMergedOcc 0
13 mol 189 unq 0 iso 0 dist 5.79707 8.49359 6.93464 5.56399 6.50241 12.2245 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 6.43838 8.28824 9.32678 5.06584 5.65339 12.2745 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 9.24964 8.28824 14.2299 6.70342 9.58736 8.08965 numMergedOcc 0
16 mol 235 unq 2 iso 0 dist 9.24964 8.28824 14.2299 6.38281 9.43058 14.4487 numMergedOcc 0
17 mol 235 unq 3 iso 0 dist 9.24964 8.28824 14.2299 10.6146 8.75735 18.6146 numMergedOcc 0
18 mol 235 unq 4 iso 0 dist 9.24964 8.28824 14.2299 14.8599 6.98084 19.6952 numMergedOcc 0
19 mol 235 unq 5 iso 0 dist 9.24964 8.28824 14.2299 16.2392 7.32211 21.1783 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 8.39127 8.28099 4.40718 5.8982 8.50864 7.79063 numMergedOcc 0
21 mol 248 unq 1 iso 0 dist 7.96942 5.76741 4.40718 7.63032 8.50864 7.79063 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 7.83041 7.79803 11.0596 12.3321 7.19465 12.7365 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 5.50677 6.26593 5.88986 14.447 9.0012 11.8278 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 8.75957 6.26593 3.93329 14.447 9.5784 11.8278 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 7.86196 7.0445 12.6489 9.62211 9.03492 15.2886 numMergedOcc 0
