0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 15.1647 8.41585 10.4545 8.16305 7.78327 6.68629 13.5229 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 5.36895 9.95794 7.07587 5.07641 7.99312 11.8001 6.85618 9.17982 10.1866 4.11117 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 5.36895 9.95794 7.07587 5.07641 7.99312 11.8001 8.25624 9.62869 14.808 4.77073 numMergedOcc 0
3 mol 41 unq 2 iso 0 dist 5.36895 9.95794 7.07587 5.07641 7.99312 11.8001 5.36021 6.40219 6.16399 6.69486 numMergedOcc 0
4 mol 41 unq 3 iso 0 dist 5.36895 9.95794 7.07587 8.54745 8.2183 9.78914 6.85618 9.17982 10.1866 4.81484 numMergedOcc 0
5 mol 41 unq 4 iso 0 dist 5.36895 9.95794 7.07587 8.54745 8.2183 9.78914 8.25624 9.62869 14.808 7.03449 numMergedOcc 0
6 mol 41 unq 5 iso 0 dist 5.36895 9.95794 7.07587 8.54745 8.2183 9.78914 5.36021 6.40219 6.16399 7.02983 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.06275 14.8755 8.47617 5.5249 8.80331 15.1595 7.62357 9.02471 14.2755 12.6657 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.06275 14.8755 8.47617 10.4413 6.20293 8.14351 7.62357 9.02471 14.2755 14.0654 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.90024 5.00932 8.47617 13.9129 8.80331 15.1595 16.9091 9.02471 14.2755 12.6657 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 8.90024 5.00932 8.47617 5.84171 6.20293 8.14351 16.9091 9.02471 14.2755 14.0654 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 12.3158 5.08437 9.04817 11.4714 7.92856 11.3701 8.29813 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 9.83528 10.7274 4.31067 15.1765 6.48948 4.70157 11.4714 7.92856 11.3701 13.2057 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 9.83528 10.7274 4.31067 8.06684 6.10456 6.21302 11.4714 7.92856 11.3701 12.7473 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 7.54969 5.76482 4.31067 11.7493 5.08437 9.04817 12.9689 7.92856 11.3701 8.29813 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 7.54969 5.76482 4.31067 10.3366 6.48948 4.70157 12.9689 7.92856 11.3701 13.2057 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 7.54969 5.76482 4.31067 5.15322 6.10456 6.21302 12.9689 7.92856 11.3701 12.7473 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 7.75534 8.75408 10.7527 8.14689 6.42623 8.24077 5.6295 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 5.06555 7.08572 8.20009 7.75534 8.75408 10.7527 5.74365 8.95899 3.79384 8.97962 numMergedOcc 0
19 mol 120 unq 2 iso 0 dist 5.06555 7.08572 8.20009 5.61914 6.44653 5.6257 8.14689 6.42623 8.24077 3.824 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 5.06555 7.08572 8.20009 5.61914 6.44653 5.6257 5.74365 8.95899 3.79384 4.96885 numMergedOcc 0
21 mol 120 unq 4 iso 0 dist 5.06555 9.04066 8.14799 7.75534 8.75408 9.8469 8.14689 6.42623 5.56137 5.6295 numMergedOcc 0
22 mol 120 unq 5 iso 0 dist 5.06555 9.04066 8.14799 7.75534 8.75408 9.8469 5.74365 8.95899 6.80121 8.97962 numMergedOcc 0
23 mol 120 unq 6 iso 0 dist 5.06555 9.04066 8.14799 5.61914 6.44653 5.0256 8.14689 6.42623 5.56137 3.824 numMergedOcc 0
24 mol 120 unq 7 iso 0 dist 5.06555 9.04066 8.14799 5.61914 6.44653 5.0256 5.74365 8.95899 6.80121 4.96885 numMergedOcc 0
25 mol 122 unq 0 iso 0 dist 8.47907 8.96396 8.054 9.75696 8.37808 9.57532 12.1473 4.42563 10.2953 7.90729 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 8.34839 14.9554 9.0847 5.65129 8.56324 14.8573 14.1262 9.00072 5.0146 12.2243 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 8.34839 14.9554 9.0847 10.5295 6.70283 8.41711 14.1262 9.00072 5.0146 4.73288 numMergedOcc 0
28 mol 152 unq 2 iso 0 dist 8.34839 14.9554 9.0847 10.7929 7.16148 4.82496 14.1262 9.00072 5.0146 4.70284 numMergedOcc 0
29 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 14.4072 6.69288 6.96904 12.3914 4.72821 8.84201 4.69387 numMergedOcc 0
30 mol 178 unq 1 iso 0 dist 8.04723 11.2444 7.14849 13.0519 6.43573 7.57303 12.3914 4.72821 8.84201 3.70233 numMergedOcc 0
31 mol 178 unq 2 iso 0 dist 8.04723 11.2444 7.14849 10.5681 7.17202 14.0459 12.3914 4.72821 8.84201 7.39705 numMergedOcc 0
32 mol 178 unq 3 iso 0 dist 8.04723 11.2444 7.14849 9.1499 8.81551 14.3001 12.3914 4.72821 8.84201 9.77268 numMergedOcc 0
33 mol 178 unq 4 iso 0 dist 8.04723 12.3996 8.63718 14.4072 6.69288 11.5509 12.3914 4.72821 7.09333 4.69387 numMergedOcc 0
34 mol 178 unq 5 iso 0 dist 8.04723 12.3996 8.63718 13.0519 6.43573 7.31401 12.3914 4.72821 7.09333 3.70233 numMergedOcc 0
35 mol 178 unq 6 iso 0 dist 8.04723 12.3996 8.63718 10.5681 7.17202 5.91018 12.3914 4.72821 7.09333 7.39705 numMergedOcc 0
36 mol 178 unq 7 iso 0 dist 8.04723 12.3996 8.63718 9.1499 8.81551 4.92895 12.3914 4.72821 7.09333 9.77268 numMergedOcc 0
37 mol 235 unq 0 iso 0 dist 7.8128 7.37236 8.84872 5.49043 5.4638 4.28841 9.83176 8.08965 3.90737 4.75609 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 7.23956 5.13652 9.64889 15.6875 9.7748 15.4648 9.7252 4.9764 13.4595 11.8607 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 7.23956 5.13652 9.64889 15.6875 9.7748 15.4648 10.5201 6.36559 13.6295 10.9137 numMergedOcc 0
