0 mol 24 unq 0 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 12.3067 7.36323 9.24958 11.0181 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 12.3067 7.36323 9.24958 17.003 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 12.3067 5.54419 4.93188 10.4135 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 12.3067 5.54419 4.93188 9.33482 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 8.13395 6.20293 8.60739 6.75943 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 6.20293 8.60739 9.06158 6.75943 5.41726 4.55347 8.13395 8.80331 9.93832 6.6263 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 7.2846 9.44459 5.73693 9.33906 6.42339 10.7651 5.24762 6.43774 6.06454 11.5679 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 8.7531 7.55695 9.62257 8.4312 8.62476 5.71764 7.29309 8.33063 9.96399 12.8147 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.96396 7.04044 8.26458 9.73086 5.70116 7.8972 5.4148 6.19304 8.73253 7.4369 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.19304 8.73253 8.26458 8.68662 6.20232 10.9746 5.4148 9.96396 7.04044 12.2276 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 7.4369 5.70116 7.8972 5.4148 9.96396 7.04044 9.73086 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 9.27976 3.98662 5.30999 5.55373 7.12972 8.71039 10.0551 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 7.65448 6.70283 8.28642 6.70693 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 7.65448 6.70283 8.28642 9.27706 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 6.70283 8.28642 9.35627 6.70693 5.39112 4.71678 7.65448 8.56324 9.77552 6.59889 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 6.61112 11.0961 8.58039 5.74635 8.87694 6.85302 11.456 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 5.22356 8.65997 5.4694 6.91318 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 5.22356 7.22101 8.38865 5.23634 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 9.45496 7.5366 5.63086 7.81215 12.4252 11.0592 5.88703 6.56247 8.24186 11.6391 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 6.7625 7.5366 5.6819 7.81215 5.75498 11.0592 5.88703 9.36357 8.24186 11.6391 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 7.69895 6.17052 5.99459 9.05018 4.58289 7.14182 5.55137 7.21521 9.77666 9.33962 numMergedOcc 0
