0 mol 25 unq 0 iso 0 dist 8.94828 9.23015 5.63212 7.11194 6.00307 9.5648 14.2406 7.57578 10.9703 7.95074 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.94828 9.23015 5.63212 7.11194 6.00307 9.5648 15.6642 7.17969 10.3338 10.3928 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.36895 4.29713 7.18662 9.95794 7.07587 9.26277 5.07641 7.99312 8.76849 11.8001 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 5.36895 4.29713 7.18662 9.95794 7.07587 9.26277 8.54745 8.2183 11.4753 9.78914 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 14.8755 8.47617 12.5916 5.5249 8.80331 6.6263 15.1595 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.06275 8.74209 5.41726 14.8755 8.47617 12.5916 10.4413 6.20293 6.75943 8.14351 numMergedOcc 0
6 mol 51 unq 0 iso 0 dist 6.67213 8.92175 4.32726 5.44727 8.99612 9.07954 6.57102 9.0709 10.2245 10.2637 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 8.47907 6.91978 6.9791 8.96396 8.054 12.7573 9.75696 8.37808 11.6822 9.57532 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 14.9554 9.0847 12.8022 5.65129 8.56324 6.59889 14.8573 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 8.34839 9.4275 5.39112 14.9554 9.0847 12.8022 10.5295 6.70283 6.70693 8.41711 numMergedOcc 0
10 mol 152 unq 2 iso 0 dist 8.34839 9.4275 5.39112 14.9554 9.0847 12.8022 10.7929 7.16148 10.4895 4.82496 numMergedOcc 0
11 mol 152 unq 3 iso 0 dist 8.34839 9.83462 4.84714 14.9554 9.0847 13.3531 5.65129 8.56324 8.9192 14.8573 numMergedOcc 0
12 mol 152 unq 4 iso 0 dist 8.34839 9.83462 4.84714 14.9554 9.0847 13.3531 10.5295 6.70283 9.27706 8.41711 numMergedOcc 0
13 mol 152 unq 5 iso 0 dist 8.34839 9.83462 4.84714 14.9554 9.0847 13.3531 10.7929 7.16148 11.6735 4.82496 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 8.04723 8.81097 10.8373 11.2444 7.14849 14.3793 14.4072 6.69288 15.7548 6.96904 numMergedOcc 0
15 mol 178 unq 1 iso 0 dist 8.04723 8.81097 10.8373 11.2444 7.14849 14.3793 13.0519 6.43573 17.2277 7.57303 numMergedOcc 0
16 mol 178 unq 2 iso 0 dist 8.04723 8.81097 10.8373 11.2444 7.14849 14.3793 10.5681 7.17202 13.544 14.0459 numMergedOcc 0
17 mol 178 unq 3 iso 0 dist 8.04723 8.81097 10.8373 11.2444 7.14849 14.3793 9.1499 8.81551 15.2622 14.3001 numMergedOcc 0
18 mol 178 unq 4 iso 0 dist 8.04723 8.81097 10.8373 12.3996 8.63718 17.8438 14.4072 6.69288 15.7548 11.5509 numMergedOcc 0
19 mol 178 unq 5 iso 0 dist 8.04723 8.81097 10.8373 12.3996 8.63718 17.8438 13.0519 6.43573 17.2277 7.31401 numMergedOcc 0
20 mol 178 unq 6 iso 0 dist 8.04723 8.81097 10.8373 12.3996 8.63718 17.8438 10.5681 7.17202 13.544 5.91018 numMergedOcc 0
21 mol 178 unq 7 iso 0 dist 8.04723 8.81097 10.8373 12.3996 8.63718 17.8438 9.1499 8.81551 15.2622 4.92895 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 7.80612 9.89379 4.81639 14.2037 8.69557 12.76 9.62983 8.23192 11.4025 9.51148 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 7.80612 9.89379 4.81639 4.72507 4.89168 8.92798 9.62983 8.23192 11.4025 6.50608 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 7.40475 5.65458 7.48679 11.4636 9.5107 14.8584 7.63032 7.69895 10.6429 11.8955 numMergedOcc 0
25 mol 248 unq 1 iso 0 dist 7.40475 5.65458 7.48679 11.4636 9.5107 14.8584 6.42334 7.21521 10.9783 6.97887 numMergedOcc 0
26 mol 248 unq 2 iso 0 dist 7.40475 5.65458 7.48679 11.4636 9.5107 14.8584 6.86606 8.2965 10.6091 5.78576 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 7.23956 9.22453 3.97543 5.13652 9.64889 12.4519 15.6875 9.7748 12.1398 15.4648 numMergedOcc 0
