0 mol 0 unq 0 iso 0 dist 7.30381 6.58151 6.64713 7.37981 5.24778 6.26831 12.7599 11.2072 6.34883 9.6994 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.30381 6.58151 6.64713 7.37981 5.24778 6.26831 13.3337 11.2263 9.19662 7.15528 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.88172 9.94237 6.62229 13.4086 5.85698 7.27383 15.5966 9.86039 6.37648 6.64012 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 9.34193 11.7103 4.65127 17.2674 11.2415 9.96399 13.6099 11.816 9.62257 8.33063 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 9.34193 11.7103 4.65127 10.5768 5.94827 7.55695 13.6099 11.816 9.62257 8.7531 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 9.34193 11.7103 4.65127 6.27749 5.32257 8.82176 5.63638 12.1928 13.0114 8.90863 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.91141 4.73318 6.48232 10.1845 5.11416 7.04044 9.19589 9.24757 8.26458 9.96396 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.91141 4.73318 6.48232 10.1845 5.11416 7.04044 12.9471 13.0145 8.35241 9.75218 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.91141 4.73318 6.48232 10.1845 5.11416 7.04044 19.3432 13.8696 15.7304 9.38498 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 6.91141 4.73318 6.48232 10.8928 6.56633 8.73253 9.19589 9.24757 8.26458 6.19304 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 5.79841 13.3069 8.70863 12.3148 11.165 8.00777 15.5426 12.0078 5.08358 7.95579 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 5.79841 13.3069 8.70863 10.7029 9.29301 7.1589 13.8798 9.82915 6.37974 7.97049 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 5.79841 13.3069 8.70863 10.7029 9.29301 7.1589 15.5426 12.0078 5.08358 6.19965 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.95103 6.04919 9.5669 11.5472 9.75737 7.12017 14.3495 15.8683 9.52882 6.45675 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.95103 6.04919 9.5669 11.5472 9.75737 7.12017 16.2555 16.5404 12.6602 7.47343 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 9.95103 6.04919 9.5669 11.5472 9.75737 7.12017 20.1677 16.3323 14.8674 8.86688 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 9.69961 4.26804 9.77017 6.85381 5.39346 8.729 12.5148 10.1861 11.0629 9.60462 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 9.69961 4.26804 9.77017 6.85381 5.39346 8.729 6.38057 10.15 5.48848 7.45389 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 7.78223 10.8586 9.35942 16.692 12.7083 6.34525 21.64 19.2926 11.128 7.5732 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 9.37051 9.0525 6.03352 16.7481 8.2619 8.93905 15.9251 11.9051 7.27181 8.75408 numMergedOcc 0
20 mol 120 unq 1 iso 0 dist 9.37051 9.0525 6.03352 16.7481 8.2619 8.93905 19.5071 13.082 10.5192 6.44653 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 9.86237 10.2048 9.94578 11.5151 4.55551 8.03372 12.2044 6.28565 6.67948 5.83384 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 6.53696 10.9098 5.60528 11.4946 6.77832 7.35824 13.2027 12.6314 12.5754 9.29945 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 6.53696 5.31207 5.5995 11.4946 6.77832 9.17364 13.2027 12.6314 10.0424 9.29945 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 9.24734 7.16694 5.73306 14.0931 6.43967 8.47347 8.53432 9.38004 4.46081 9.96154 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.05637 8.06536 5.37796 13.1834 7.11498 5.45036 6.24624 6.59716 6.17628 9.23153 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 9.05637 8.06536 5.37796 13.1834 7.11498 5.45036 15.6587 13.1498 10.4136 8.24498 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 7.17024 11.481 7.95359 11.3667 6.67321 5.87815 14.5234 13.0798 10.6244 7.55216 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 8.53033 12.2076 7.97135 12.4697 4.30004 6.77954 6.12544 7.16525 6.71566 9.56569 numMergedOcc 0
29 mol 253 unq 0 iso 0 dist 9.6479 12.0513 8.15091 10.7862 5.78064 7.77998 19.7492 13.07 13.6942 9.02271 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.02661 16.9837 8.2997 12.0331 5.29529 9.56685 17.306 8.52587 5.90436 7.56915 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 9.02661 16.9837 8.2997 12.0331 5.29529 9.56685 18.7379 11.6126 12.106 8.49997 numMergedOcc 0
