0 mol 26 unq 0 iso 0 dist 8.62527 8.99751 10.4631 10.7581 9.03539 7.22361 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.62527 8.99751 10.4631 6.77783 13.053 6.15893 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.62527 9.44507 12.1978 6.77783 13.053 5.497 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.34361 4.38047 5.01159 8.98505 8.41365 6.30987 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 7.49861 6.23138 6.11938 6.84612 10.4215 9.32552 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 6.2165 6.23138 4.43442 6.84612 11.8445 9.32552 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.87592 6.66022 5.16645 5.46352 8.77794 5.60389 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 8.51507 7.6005 7.11876 8.76048 13.6623 7.35992 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 8.51507 7.6005 7.11876 5.79458 9.88812 6.49383 numMergedOcc 0
9 mol 116 unq 2 iso 0 dist 8.22285 8.7583 7.11876 11.4263 13.6623 7.35992 numMergedOcc 0
10 mol 116 unq 3 iso 0 dist 8.22285 8.7583 7.11876 9.91115 9.88812 6.49383 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.06644 5.49198 5.90151 5.90631 11.3329 6.93279 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 4.93595 9.51638 9.16343 12.905 12.5202 6.64779 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.51041 7.42278 7.35345 4.65504 10.3967 7.04177 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.99964 5.97968 7.23046 4.24915 7.88787 5.95304 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 6.93144 8.50382 7.23046 4.20499 7.88787 5.95304 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 7.04782 9.07527 14.9846 6.24616 12.139 5.97685 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 7.04782 9.07527 14.9846 12.5567 18.3619 8.9289 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 9.39697 8.13947 6.45756 4.04021 9.75763 9.82588 numMergedOcc 0
19 mol 195 unq 1 iso 0 dist 4.86882 8.13947 5.65165 4.04021 6.52001 9.82588 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.21479 9.41148 13.3182 6.17401 8.94854 7.10413 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 8.11437 9.69704 5.01342 8.75798 6.52138 9.58354 numMergedOcc 0
22 mol 273 unq 0 iso 0 dist 5.75335 6.38341 5.63899 9.11005 11.9076 8.68913 numMergedOcc 0
23 mol 273 unq 1 iso 0 dist 5.75335 9.78826 7.46111 13.7838 13.4202 8.85779 numMergedOcc 0
24 mol 273 unq 2 iso 0 dist 8.76527 6.38341 11.3048 9.11005 13.3779 8.68913 numMergedOcc 0
25 mol 273 unq 3 iso 0 dist 8.76527 9.78826 5.60451 13.7838 14.0662 8.85779 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 9.86767 6.60049 6.28133 7.69175 11.9524 5.7131 numMergedOcc 0
