0 mol 25 unq 0 iso 0 dist 8.88413 7.05148 5.30154 5.59268 7.17969 7.92503 5.97432 10.1525 6.61233 6.90155 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.87281 7.05148 5.64303 6.17631 7.31767 8.6653 5.97432 7.63409 6.61233 5.81959 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 7.63928 7.05148 5.82503 6.17631 6.03987 8.6653 5.97432 8.4666 6.61233 5.81959 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.7522 8.99751 10.797 15.0931 8.34347 18.8417 17.8374 10.6756 21.2334 5.69955 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.7522 9.44507 10.9837 15.0931 8.34347 18.1487 17.8374 10.6756 21.5874 5.69955 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.15985 5.42828 5.39346 6.68714 9.60462 10.1861 10.7968 17.3924 15.0784 9.92283 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 7.15985 5.42828 5.39346 6.68714 9.60462 10.1861 7.98999 3.98564 7.60016 7.23962 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 7.15985 5.42828 5.39346 6.71889 7.45389 10.15 7.98999 3.98564 7.60016 7.30204 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 4.98864 6.66022 5.22052 10.9437 7.88312 12.13 11.2871 7.3094 9.18958 5.72642 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 5.63005 9.34823 12.0175 10.5268 8.73993 17.8739 9.15988 3.78311 14.8901 7.77116 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.82404 6.72323 4.54648 10.2385 6.29155 6.16242 10.8945 5.74088 9.34112 6.76699 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 8.62103 9.26092 10.4168 3.84723 6.18308 11.18 7.31388 9.59996 14.2595 5.37446 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 9.29752 9.41148 12.5452 9.60401 8.27212 13.7227 10.1474 8.25884 7.86594 7.83711 numMergedOcc 0
13 mol 232 unq 1 iso 0 dist 9.29752 7.83422 8.80479 9.60401 8.27212 9.05071 10.1474 8.25884 13.8622 7.83711 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 6.11137 8.37813 9.52712 9.01197 6.27581 12.6259 9.30828 7.00028 5.92456 8.50331 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 6.11137 9.25988 4.79879 9.01197 6.27581 9.73914 9.30828 7.00028 11.194 8.50331 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 5.73834 8.63176 5.63675 6.48867 6.60405 7.21311 11.329 7.42673 8.10604 6.70815 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 5.73834 8.63176 5.63675 7.52881 6.42289 11.2102 11.329 7.42673 8.10604 7.99477 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 5.73834 8.63176 5.63675 7.52881 6.42289 11.2102 11.7075 6.44209 10.0353 7.86627 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.71801 9.02071 6.20558 5.9882 7.56915 9.85289 7.65671 5.90436 5.36428 9.56685 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 9.71801 9.02071 6.20558 5.9882 7.56915 9.85289 7.3996 9.27829 11.9754 8.49922 numMergedOcc 0
