0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 9.81211 5.51421 4.44694 8.16305 7.78327 6.68629 3.52338 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 14.8755 8.47617 6.41579 8.38387 12.345 7.62357 9.02471 14.2755 4.15592 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.90024 5.00932 8.47617 14.9559 8.38387 12.345 16.9091 9.02471 14.2755 4.15592 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 13.0144 5.9747 9.91645 11.4714 7.92856 11.3701 4.48773 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.83528 10.7274 4.31067 10.11 4.50572 7.54723 11.4714 7.92856 11.3701 3.8493 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 7.54969 5.76482 4.31067 12.9828 5.9747 9.91645 12.9689 7.92856 11.3701 4.48773 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 7.54969 5.76482 4.31067 9.82501 4.50572 7.54723 12.9689 7.92856 11.3701 3.8493 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 7.77678 6.99654 8.1306 4.9839 9.73174 6.9318 10.0513 9.10911 9.44658 6.88119 numMergedOcc 0
8 mol 110 unq 1 iso 0 dist 7.77678 6.99654 8.1306 4.36119 9.65418 4.29339 10.0513 9.10911 9.44658 9.95216 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 8.75149 7.04864 11.9512 8.14689 6.42623 8.24077 4.74539 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 5.06555 7.08572 8.20009 8.75149 7.04864 11.9512 5.74365 8.95899 3.79384 11.4443 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 5.06555 9.04066 8.14799 8.75149 7.04864 10.1556 8.14689 6.42623 5.56137 4.74539 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 5.06555 9.04066 8.14799 8.75149 7.04864 10.1556 5.74365 8.95899 6.80121 11.4443 numMergedOcc 0
13 mol 122 unq 0 iso 0 dist 8.47907 8.96396 8.054 5.08302 9.40018 5.45124 12.1473 4.42563 10.2953 12.9961 numMergedOcc 0
14 mol 122 unq 1 iso 0 dist 8.47907 8.96396 8.054 11.2519 6.78949 4.79314 12.1473 4.42563 10.2953 6.80573 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 8.34839 14.9554 9.0847 6.11789 8.07256 11.6766 14.1262 9.00072 5.0146 12.8334 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.0639 5.18812 9.71735 4.40927 7.80299 4.20223 4.59453 9.65093 6.89357 5.18174 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 9.23836 11.5727 7.84536 13.7266 6.25429 7.42251 6.17727 4.67869 5.97525 7.96489 numMergedOcc 0
18 mol 196 unq 1 iso 0 dist 9.23836 8.10415 7.07723 13.7266 6.25429 10.0417 6.17727 4.67869 4.22321 7.96489 numMergedOcc 0
19 mol 196 unq 2 iso 0 dist 9.23836 6.1798 6.40064 13.7266 6.25429 8.51719 6.17727 4.67869 3.9465 7.96489 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 9.79816 12.3761 9.85348 16.0359 7.73315 12.2182 5.27483 7.84952 9.51802 14.9642 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 7.8128 7.37236 8.84872 12.3178 9.11256 7.44501 9.83176 8.08965 3.90737 3.76405 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 7.8128 7.37236 8.84872 4.27313 7.08539 10.7196 9.83176 8.08965 3.90737 12.0808 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 7.23956 5.13652 9.64889 12.7088 9.29635 14.9226 9.7252 4.9764 13.4595 7.31817 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 7.23956 5.13652 9.64889 12.7088 9.29635 14.9226 10.5201 6.36559 13.6295 3.91224 numMergedOcc 0
