0 mol 7 unq 0 iso 0 dist 8.57437 9.8603 4.57188 17.7278 9.85726 11.0773 15.8072 10.4728 8.72114 8.43473 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.56648 6.36377 5.35079 5.48395 5.84479 6.31718 5.96976 12.137 6.93532 10.4366 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.56648 6.36377 5.35079 10.1011 8.67719 10.9143 5.96976 12.137 6.93532 15.1671 numMergedOcc 0
3 mol 101 unq 0 iso 0 dist 5.5199 5.22543 5.16122 4.50603 8.77773 6.57035 5.08458 9.83799 6.98314 5.53055 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 9.44788 6.18763 6.83988 12.7349 8.53368 13.4378 6.49348 5.58734 8.00003 6.36778 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 9.44788 8.44385 14.8957 12.7349 8.53368 19.9505 4.01593 13.2182 9.11344 14.8262 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 9.44788 5.63005 12.1168 12.7349 8.53368 15.7043 4.01593 13.2182 6.52773 14.8262 numMergedOcc 0
7 mol 119 unq 3 iso 0 dist 9.44788 5.63005 12.1168 12.7349 8.53368 15.7043 13.1254 17.6771 9.23858 17.5392 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 4.84607 8.84018 6.5107 11.5759 13.4486 6.66772 7.12976 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 6.23615 9.50322 14.5344 4.64588 6.11955 12.6651 16.7326 19.5418 9.22232 19.3488 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 6.23615 9.50322 14.5344 4.64588 6.11955 12.6651 10.2948 16.4054 9.22661 13.262 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 6.23615 9.50322 14.5344 4.64588 6.11955 12.6651 11.6924 17.5793 7.56378 13.1361 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 5.43774 9.88732 9.76368 6.54937 8.44989 9.62337 10.6052 12.9666 5.85827 8.78204 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 8.31061 5.77949 9.76368 6.91082 8.44989 9.62337 5.62869 12.9666 5.85827 8.78204 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 10.9746 9.18675 16.3967 4.21811 8.61546 6.02296 10.8138 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 5.98006 8.06771 5.71237 6.64729 6.77279 8.13497 5.61261 9.69025 7.98231 8.41846 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 5.98006 8.06771 5.71237 9.79538 9.58006 7.88519 5.61261 9.69025 7.98231 8.81835 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 6.98812 7.04833 5.56416 5.58514 9.59213 12.0259 10.7881 7.49913 6.71375 13.9888 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 4.56913 6.00877 10.7806 6.70266 14.0223 9.45514 9.5468 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 8.26851 6.55855 13.002 4.56913 6.00877 10.7806 5.15747 9.67276 6.39866 6.70925 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 8.26851 9.52894 17.6855 4.56913 6.00877 13.5896 6.70266 14.0223 7.1729 9.5468 numMergedOcc 0
21 mol 274 unq 3 iso 0 dist 8.14634 6.55855 10.2307 4.56913 8.66451 10.7806 6.70266 14.0902 9.45514 9.5468 numMergedOcc 0
22 mol 274 unq 4 iso 0 dist 8.14634 6.55855 10.2307 4.56913 8.66451 10.7806 5.15747 9.02661 6.39866 6.70925 numMergedOcc 0
23 mol 274 unq 5 iso 0 dist 8.14634 9.52894 16.0912 4.56913 8.66451 13.5896 6.70266 14.0902 7.1729 9.5468 numMergedOcc 0
