0 mol 16 unq 0 iso 0 dist 6.36377 6.55076 8.33883 13.8231 11.958 8.46837 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.10899 13.0514 6.87871 11.7558 5.3372 6.17472 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 11.1748 9.69698 8.58709 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.38387 7.67926 9.74445 11.0563 5.90113 7.53564 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.97635 4.94741 5.59773 8.34361 5.65405 6.10175 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 6.90827 13.2842 9.85576 11.6509 5.21051 8.30003 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 8.90977 12.0106 9.85576 13.1924 5.21051 8.30003 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 6.78949 9.13822 8.33083 16.8397 11.9943 9.44209 numMergedOcc 0
8 mol 122 unq 1 iso 0 dist 9.40018 3.45209 8.33083 10.9845 11.9943 9.44209 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 8.32241 9.63225 9.54928 10.6754 5.50061 9.40608 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.81337 6.68239 8.97145 7.46875 5.29825 5.50364 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 7.81337 7.74794 6.5874 7.46875 5.29825 8.7301 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 12.9009 9.50073 8.84852 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 7.07224 7.93856 7.31181 11.9371 6.00494 9.81282 numMergedOcc 0
14 mol 207 unq 0 iso 0 dist 9.18896 6.26853 5.08312 7.98453 5.62653 4.55528 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.51764 15.3761 8.49704 14.1717 5.68711 5.69733 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 5.36829 8.72971 8.49704 7.71569 5.68711 5.69733 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 6.24928 9.87348 9.75174 10.4038 6.53984 6.32593 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 6.44212 11.0479 6.37342 10.9473 4.77446 4.21935 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 6.37672 11.3437 7.29898 14.6348 8.68833 5.66519 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 6.37672 13.0712 8.91685 14.6348 8.68833 6.50067 numMergedOcc 0
21 mol 249 unq 2 iso 0 dist 8.94023 11.2158 7.29898 15.7594 8.68833 5.66519 numMergedOcc 0
22 mol 249 unq 3 iso 0 dist 8.94023 13.8209 8.91685 15.7594 8.68833 6.50067 numMergedOcc 0
23 mol 251 unq 0 iso 0 dist 8.39644 8.59586 9.82043 9.77991 10.0672 8.65547 numMergedOcc 0
24 mol 251 unq 1 iso 0 dist 7.4878 4.44097 9.94161 11.3965 10.1343 9.22712 numMergedOcc 0
25 mol 257 unq 0 iso 0 dist 6.36911 5.95774 4.97263 11.093 6.75122 5.65496 numMergedOcc 0
26 mol 257 unq 1 iso 0 dist 7.82899 5.95774 5.36776 11.093 5.99362 5.65496 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 5.73834 3.95075 8.58088 6.41167 5.13233 6.59521 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 5.90645 6.13878 6.77279 10.8231 12.4673 9.16791 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 9.09967 5.66978 7.79904 10.81 4.89399 7.59956 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 9.09967 5.66978 7.79904 12.493 10.9974 8.05503 numMergedOcc 0
31 mol 274 unq 2 iso 0 dist 9.09967 5.66978 7.79904 7.03782 7.60191 5.59151 numMergedOcc 0
32 mol 274 unq 3 iso 0 dist 9.09967 10.88 9.86142 7.03782 7.60191 8.17922 numMergedOcc 0
33 mol 274 unq 4 iso 0 dist 8.49076 5.66978 9.02749 10.81 11.3084 7.59956 numMergedOcc 0
34 mol 274 unq 5 iso 0 dist 8.49076 5.66978 9.02749 12.493 16.897 8.05503 numMergedOcc 0
35 mol 274 unq 6 iso 0 dist 8.49076 5.66978 9.02749 7.03782 13.8866 5.59151 numMergedOcc 0
36 mol 274 unq 7 iso 0 dist 9.65265 5.88732 6.00877 9.04647 5.56999 7.24089 numMergedOcc 0
37 mol 274 unq 8 iso 0 dist 9.65265 5.88732 6.00877 12.897 10.2696 9.29005 numMergedOcc 0
38 mol 274 unq 9 iso 0 dist 9.65265 10.5583 8.66451 12.897 10.2696 8.16746 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 9.77689 7.41383 9.98528 11.633 7.0797 7.98871 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 8.51931 17.1833 9.98528 15.491 7.0797 7.98871 numMergedOcc 0
41 mol 277 unq 2 iso 0 dist 8.96343 13.4151 9.02914 21.7392 17.0927 9.42812 numMergedOcc 0
42 mol 277 unq 3 iso 0 dist 9.29635 15.5244 6.90434 24.5235 16.2915 9.42812 numMergedOcc 0
43 mol 279 unq 0 iso 0 dist 7.74162 11.6227 8.13489 12.0665 5.31331 8.66917 numMergedOcc 0
