0 mol 11 unq 0 iso 0 dist 6.58046 8.01262 13.3327 10.7048 6.83186 18.4817 6.35398 6.51674 12.9584 9.81983 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.15542 8.89047 6.87266 6.88863 8.22812 4.22002 11.8552 11.6319 5.39812 7.11491 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.15542 8.89003 4.62605 6.88863 8.22812 5.77855 11.8552 11.6319 8.55482 7.11491 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.89047 7.15542 6.87266 6.88863 4.22002 8.22812 11.8552 5.39812 11.6319 7.11491 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.89047 8.89003 3.23184 6.88863 4.22002 5.77855 11.8552 5.39812 8.55482 7.11491 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 8.89003 7.15542 4.62605 6.88863 5.77855 8.22812 11.8552 8.55482 11.6319 7.11491 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 8.89003 8.89047 3.23184 6.88863 5.77855 4.22002 11.8552 8.55482 5.39812 7.11491 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 5.25027 4.37025 5.30569 3.83059 4.15789 4.808 11.1154 6.07693 10.8556 8.84225 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 5.25027 4.37025 5.30569 3.83059 4.15789 4.808 8.77598 5.25584 5.79629 6.72546 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 4.37025 5.25027 5.30569 8.95695 6.20144 9.56766 8.77598 5.79629 5.25584 7.38548 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 4.37025 5.25027 5.30569 3.83059 4.808 4.15789 11.1154 10.8556 6.07693 8.84225 numMergedOcc 0
11 mol 79 unq 4 iso 0 dist 4.37025 5.25027 5.30569 3.83059 4.808 4.15789 8.77598 5.79629 5.25584 6.72546 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.69926 5.85237 2.58673 6.35602 6.67137 7.04244 11.5566 5.22259 7.66499 8.04853 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 5.85237 7.69926 2.58673 6.35602 7.04244 6.67137 11.5566 7.66499 5.22259 8.04853 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.11702 7.44558 9.99088 4.56372 9.29327 11.0867 7.02927 11.1265 9.63255 5.54226 numMergedOcc 0
15 mol 111 unq 0 iso 0 dist 9.06601 5.98809 8.72808 6.34994 4.91212 9.34782 15.6609 8.83426 16.815 9.72371 numMergedOcc 0
16 mol 111 unq 1 iso 0 dist 5.98809 9.06601 8.72808 6.34994 9.34782 4.91212 15.6609 16.815 8.83426 9.72371 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 9.59585 9.7073 9.78508 5.37655 7.02358 11.6135 11.9334 14.7833 15.9735 9.62952 numMergedOcc 0
18 mol 113 unq 1 iso 0 dist 7.02367 9.30832 10.8127 13.0914 7.02358 13.6813 9.66219 3.52111 13.7232 5.35711 numMergedOcc 0
19 mol 117 unq 0 iso 0 dist 7.78789 7.42146 9.77711 4.46691 9.02015 11.2109 11.0563 13.6461 12.0342 9.82836 numMergedOcc 0
20 mol 117 unq 1 iso 0 dist 7.78789 7.42146 9.77711 4.46691 9.02015 11.2109 7.70232 6.05048 10.5934 6.5788 numMergedOcc 0
21 mol 117 unq 2 iso 0 dist 7.78789 7.42146 9.77711 4.46691 9.02015 11.2109 7.4671 4.42665 11.9806 6.2771 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 8.08471 6.77156 10.4205 4.27652 7.38825 10.6266 6.34616 5.92533 4.73496 8.78623 numMergedOcc 0
23 mol 198 unq 1 iso 0 dist 8.08471 7.97894 8.69074 4.27652 7.38825 10.0094 6.34616 5.92533 4.97547 8.78623 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 9.09354 4.66576 11.4531 3.62097 7.93317 8.24178 11.8877 11.5458 15.5804 9.34602 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 4.66576 9.09354 11.4531 7.49785 9.71831 14.9013 8.14332 6.78109 13.1121 8.59946 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 5.77511 9.19385 13.6905 10.0874 8.66299 14.1344 10.6345 5.68255 18.9505 9.73723 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 5.77511 7.14243 5.35859 10.0874 8.66299 10.9358 10.6345 5.68255 10.4961 9.73723 numMergedOcc 0
28 mol 253 unq 2 iso 0 dist 5.77511 7.81382 3.10832 10.0874 8.66299 11.5048 10.6345 5.68255 5.57952 9.73723 numMergedOcc 0
29 mol 253 unq 3 iso 0 dist 9.27311 8.94786 17.0369 5.10494 8.66299 13.7163 12.7624 5.68255 21.456 9.73723 numMergedOcc 0
30 mol 253 unq 4 iso 0 dist 9.27311 9.1927 13.6905 5.10494 8.66299 14.1344 12.7624 5.68255 18.9505 9.73723 numMergedOcc 0
31 mol 253 unq 5 iso 0 dist 9.27311 9.60694 5.35859 5.10494 8.66299 10.9358 12.7624 5.68255 10.4961 9.73723 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 4.49592 6.69619 3.75963 7.22011 8.07775 11.8025 7.07965 5.06937 8.31265 5.91617 numMergedOcc 0
