0 mol 9 unq 0 iso 0 dist 6.51397 9.99657 6.96891 4.27486 9.47063 10.9812 6.53202 10.069 8.48677 5.60698 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.88413 7.05148 5.30154 10.7087 7.55264 11.4912 6.17631 12.9968 8.6653 16.3984 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.88413 7.05148 5.30154 10.7087 7.55264 11.4912 5.59268 7.17969 7.92503 6.08585 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 7.63928 7.05148 5.82503 9.78075 6.85556 12.0452 6.17631 6.03987 8.6653 5.68392 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 7.63928 7.05148 5.82503 9.78075 6.85556 12.0452 5.59268 11.6743 7.92503 15.1839 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 5.97635 4.38047 4.29856 11.5332 7.21717 10.7227 6.76462 6.83299 6.14538 13.86 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.36193 5.84625 9.95364 4.37642 5.93884 10.2007 5.40367 6.62496 8.80614 5.78774 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 4.88613 5.84625 5.49591 4.37642 7.68678 10.2007 5.40367 6.35756 8.80614 5.78774 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.18763 9.34823 5.13589 6.49348 8.00003 13.0074 5.3154 6.18601 6.73586 10.4376 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.44385 9.34823 10.8661 4.01593 9.11344 12.0976 5.3154 10.1813 6.73586 6.42402 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 5.63005 9.34823 12.0175 4.01593 6.52773 12.0976 5.3154 9.72413 6.73586 6.42402 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 5.63005 9.34823 12.0175 13.1254 9.23858 21.1416 5.3154 9.72413 6.73586 17.9302 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.50322 6.72323 12.538 16.7326 9.22232 16.4974 10.2385 13.268 6.16242 16.6599 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.50322 6.72323 12.538 16.7326 9.22232 16.4974 4.64588 12.6651 5.87634 19.3488 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 9.50322 6.72323 12.538 10.2948 9.22661 16.5277 10.2385 13.268 6.16242 17.8146 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 9.50322 6.72323 12.538 10.2948 9.22661 16.5277 4.64588 12.6651 5.87634 13.262 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 9.50322 6.72323 12.538 11.6924 7.56378 15.724 10.2385 13.268 6.16242 14.4607 numMergedOcc 0
17 mol 133 unq 5 iso 0 dist 9.50322 6.72323 12.538 11.6924 7.56378 15.724 4.64588 12.6651 5.87634 13.1361 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.58911 5.66363 11.85 12.0718 6.22122 12.1629 9.47799 9.94371 8.90963 6.6251 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 7.70279 7.83422 12.3508 6.36084 8.50102 9.8664 9.60401 10.5803 9.05071 4.9377 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 9.29752 7.83422 8.80479 6.36084 9.40808 9.8664 9.60401 8.27212 9.05071 4.9377 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 8.19504 9.3201 5.00209 7.28197 5.93616 10.3854 3.93713 6.24356 7.16853 7.52936 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 6.55855 9.11072 6.16703 6.70266 9.45514 10.6742 9.85454 11.3168 9.85289 15.2532 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 6.55855 9.11072 6.16703 5.15747 6.39866 6.88827 9.85454 11.3168 9.85289 5.29529 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 9.52894 9.11072 6.40141 6.70266 7.1729 10.6742 9.85454 15.1014 9.85289 15.2532 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 9.71801 9.02071 6.20558 4.36131 8.52587 6.88827 5.9882 7.56915 9.85289 5.29529 numMergedOcc 0
