0 mol 54 unq 0 iso 0 dist 6.50287 7.51978 11.6633 10.6355 16.2884 9.5589 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.50287 7.51978 11.6633 6.43082 11.372 6.83299 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 6.50287 7.51978 11.6633 11.7347 14.7141 8.10861 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.05107 9.99643 9.19693 8.2572 12.0931 6.72123 numMergedOcc 0
4 mol 66 unq 0 iso 0 dist 6.90306 7.69019 10.2966 5.89221 12.756 8.96624 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 9.81202 5.09688 8.71142 9.65979 14.1058 6.45675 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 9.81202 5.09688 8.71142 12.2879 13.7943 7.47343 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 9.81202 5.09688 8.71142 10.2364 16.7446 8.86688 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 9.27056 9.26343 8.71142 13.666 14.1058 6.45675 numMergedOcc 0
9 mol 100 unq 4 iso 0 dist 9.27056 9.26343 8.71142 16.4386 13.7943 7.47343 numMergedOcc 0
10 mol 100 unq 5 iso 0 dist 9.27056 9.26343 8.71142 15.5646 16.7446 8.86688 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.70098 8.32004 5.78487 6.92096 13.4745 9.87172 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 6.65267 8.38646 13.7859 6.5815 12.4234 8.62381 numMergedOcc 0
13 mol 125 unq 1 iso 0 dist 6.55342 8.38646 12.4582 6.5815 12.9289 8.62381 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 9.51094 9.0339 10.3663 15.9368 16.662 7.7059 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 9.36589 7.80643 7.7394 6.52984 10.8501 7.44554 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 5.78397 6.64164 5.89138 5.361 10.9271 9.87651 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 9.87896 6.42827 5.09262 8.22485 10.5367 7.57994 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 9.87896 6.42827 5.09262 6.77698 10.9411 6.18582 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 6.11495 6.49599 4.53603 14.1932 11.0327 8.13497 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 6.11495 6.49599 4.53603 13.8605 11.9307 7.88519 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 6.11495 9.34738 7.47781 13.8605 11.9307 7.84554 numMergedOcc 0
22 mol 259 unq 3 iso 0 dist 6.11495 9.47382 11.2052 13.8605 11.9307 7.46176 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 8.02433 7.11272 13.0895 5.75852 12.4372 6.87396 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 9.62809 7.1984 12.3326 6.23921 11.8926 8.15665 numMergedOcc 0
