0 mol 7 unq 0 iso 0 dist 8.41585 5.99459 6.88805 7.78327 13.5229 7.00508 12.2041 10.5461 9.67164 14.0084 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.80331 6.6263 5.41726 7.39848 9.86609 5.14161 8.13395 6.20293 6.75943 11.4251 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 7.4785 4.25144 5.77163 5.79773 11.715 8.66539 12.8726 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.81627 5.38524 5.61579 7.4785 4.25144 5.77163 5.47421 7.32874 8.69057 6.39747 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 7.32874 8.69057 5.61579 8.34191 8.44881 11.7295 10.8779 11.715 8.66539 17.9574 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 7.32874 8.69057 5.61579 8.34191 8.44881 11.7295 5.47421 6.81627 5.38524 12.1872 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 7.32874 8.69057 5.61579 6.39747 4.25144 5.77163 10.8779 11.715 8.66539 12.8726 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 7.32874 8.69057 5.61579 6.39747 4.25144 5.77163 5.47421 6.81627 5.38524 7.4785 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 6.35756 8.96727 9.87158 7.17488 4.59417 10.5853 4.81926 6.62496 9.22598 9.9105 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 8.8178 7.12321 4.27726 4.86198 5.21565 4.38233 5.36766 12.8385 9.74228 8.26541 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 8.8178 7.12321 4.27726 4.86198 5.21565 4.38233 8.24309 9.84449 6.21799 6.62699 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 9.96708 7.12321 7.47371 4.86198 10.7434 4.38233 5.36766 10.8086 9.74228 8.26541 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 9.96708 7.12321 7.47371 4.86198 10.7434 4.38233 8.24309 9.78528 6.21799 6.62699 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 9.78528 6.21799 7.47371 6.62699 10.7434 4.38233 7.04035 10.8086 9.74228 8.26541 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 9.78528 6.21799 7.47371 6.62699 10.7434 4.38233 8.24309 9.96708 7.12321 4.86198 numMergedOcc 0
15 mol 72 unq 6 iso 0 dist 9.78528 5.03251 9.67587 6.62699 10.7434 5.62585 5.8486 15.1902 9.56773 8.98867 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 8.70481 5.5087 11.2069 7.37171 15.1432 10.0644 8.07446 16.0098 5.61588 8.62079 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 8.70481 6.08682 10.6713 7.37171 15.1432 12.1501 8.07446 16.0098 7.83244 8.62079 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 9.36773 7.80898 12.1193 9.07128 10.8406 9.11654 12.1547 16.8013 7.51139 16.5543 numMergedOcc 0
19 mol 88 unq 1 iso 0 dist 9.36773 7.80898 12.1193 6.65615 4.47193 10.8983 12.1547 16.8013 7.51139 16.665 numMergedOcc 0
20 mol 132 unq 0 iso 0 dist 7.7059 6.89918 12.9631 5.77186 6.85721 6.96373 4.35917 11.5751 7.89457 9.72307 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 8.56324 6.59889 5.39112 7.55934 9.73449 5.12696 7.65448 6.70283 6.70693 11.2397 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.81386 9.01624 5.71898 8.29467 6.13927 11.4645 11.5866 9.81747 5.05973 14.7884 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 7.63312 9.01624 5.93724 8.29467 13.2274 11.4645 11.5866 9.11469 5.05973 14.7884 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 4.9764 11.8607 5.9732 11.8268 21.4606 9.57499 12.762 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 9.7748 8.9682 17.6038 4.9764 11.8607 5.9732 7.08227 16.3537 5.46926 7.42932 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 9.7748 8.9682 17.6038 6.36559 10.9137 8.61922 11.8268 21.4606 9.57499 14.7874 numMergedOcc 0
27 mol 277 unq 3 iso 0 dist 9.7748 8.9682 17.6038 6.36559 10.9137 8.61922 7.08227 16.3537 5.46926 10.5562 numMergedOcc 0
28 mol 277 unq 4 iso 0 dist 9.7748 6.92711 14.772 4.9764 11.8607 3.79766 7.08227 16.3537 5.13913 7.42932 numMergedOcc 0
29 mol 277 unq 5 iso 0 dist 9.7748 6.92711 14.772 6.36559 10.9137 7.07613 7.08227 16.3537 5.13913 10.5562 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 8.2734 8.38121 14.179 6.69619 4.02751 12.1704 11.8061 17.2013 9.90967 17.2804 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 8.2734 8.38121 14.179 4.49592 5.99797 11.9106 11.8061 17.2013 9.90967 16.1146 numMergedOcc 0
