0 mol 5 unq 0 iso 0 dist 7.15734 8.88048 13.8842 6.77563 5.32128 9.72215 5.2522 9.19117 11.3768 9.17088 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.26685 9.5937 5.4483 6.53817 11.7814 10.1064 11.2244 19.4336 18.292 8.58312 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.26685 7.34681 9.4204 6.53817 11.7814 13.5023 11.2244 19.4336 17.9185 8.58312 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 8.43688 8.37901 3.80563 5.66319 9.42379 7.83082 9.147 14.8069 12.7461 5.52992 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.3473 8.86433 12.8692 9.10915 9.82646 14.8927 14.1348 18.3863 19.7153 8.75668 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 6.08228 5.66803 5.88036 5.54343 5.33496 5.9853 8.45243 12.0985 7.32896 8.75668 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 9.86958 8.85416 5.88036 9.99634 10.8691 6.43864 15.3613 12.0985 7.32896 9.64871 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.42175 9.42014 5.44978 5.81552 9.60908 6.29923 4.56801 13.1392 13.8087 9.90769 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 7.60912 9.54337 6.50839 8.55431 8.50143 12.3309 11.1479 11.2013 16.8062 6.25034 numMergedOcc 0
9 mol 159 unq 1 iso 0 dist 7.60912 6.86212 8.83633 8.55431 8.50143 5.10423 11.1479 11.2013 10.8756 6.25034 numMergedOcc 0
10 mol 159 unq 2 iso 0 dist 7.60912 9.9368 13.4546 8.55431 8.50143 7.18851 11.1479 11.2013 11.9881 6.25034 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 9.42819 8.35998 9.00663 7.51816 13.0269 11.132 7.69229 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 9.47945 6.19457 10.2353 6.01711 5.53673 6.89436 6.8538 8.95953 12.2995 7.73971 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 8.9077 4.90657 13.6952 8.20682 7.81237 14.2856 5.39218 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 8.20682 7.81237 9.51136 5.39218 numMergedOcc 0
15 mol 220 unq 2 iso 0 dist 7.35148 6.39087 11.4142 7.30244 10.48 12.2765 17.06 17.5781 22.0724 9.9693 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 7.6414 11.544 4.25662 7.98909 14.4764 8.50063 7.00833 numMergedOcc 0
17 mol 261 unq 1 iso 0 dist 9.70222 9.72159 4.97878 7.6414 11.544 12.864 7.98909 14.4764 16.4803 7.00833 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 9.81087 7.96313 7.24261 6.75848 9.70022 10.5453 8.41236 numMergedOcc 0
