0 mol 7 unq 0 iso 0 dist 9.20552 9.81211 5.51421 15.1647 8.41585 10.6104 8.16305 7.78327 3.52338 13.5229 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.49709 7.4835 5.95165 5.51815 4.61088 3.77561 4.4067 8.68293 10.5071 7.28643 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 6.49709 7.4835 5.95165 5.51815 4.61088 3.77561 13.2938 6.84216 9.80646 9.68636 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 5.5249 8.80331 11.0096 7.62357 9.02471 4.15592 12.6657 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.06275 6.41579 8.38387 10.4413 6.20293 11.8286 7.62357 9.02471 4.15592 14.0654 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.90024 14.9559 8.38387 13.9129 8.80331 11.0096 16.9091 9.02471 4.15592 12.6657 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 8.90024 14.9559 8.38387 5.84171 6.20293 11.8286 16.9091 9.02471 4.15592 14.0654 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 12.3158 5.08437 4.75138 11.4714 7.92856 4.48773 8.29813 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.83528 13.0144 5.9747 15.1765 6.48948 10.4417 11.4714 7.92856 4.48773 13.2057 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 9.83528 13.0144 5.9747 8.06684 6.10456 11.3628 11.4714 7.92856 4.48773 12.7473 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 9.83528 10.11 4.50572 12.3158 5.08437 6.88489 11.4714 7.92856 3.8493 8.29813 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 9.83528 10.11 4.50572 15.1765 6.48948 9.63267 11.4714 7.92856 3.8493 13.2057 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 9.83528 10.11 4.50572 8.06684 6.10456 9.82583 11.4714 7.92856 3.8493 12.7473 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 7.54969 12.9828 5.9747 11.7493 5.08437 4.75138 12.9689 7.92856 4.48773 8.29813 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 7.54969 12.9828 5.9747 10.3366 6.48948 10.4417 12.9689 7.92856 4.48773 13.2057 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 7.54969 12.9828 5.9747 5.15322 6.10456 11.3628 12.9689 7.92856 4.48773 12.7473 numMergedOcc 0
16 mol 98 unq 9 iso 0 dist 7.54969 9.82501 4.50572 11.7493 5.08437 6.88489 12.9689 7.92856 3.8493 8.29813 numMergedOcc 0
17 mol 98 unq 10 iso 0 dist 7.54969 9.82501 4.50572 10.3366 6.48948 9.63267 12.9689 7.92856 3.8493 13.2057 numMergedOcc 0
18 mol 98 unq 11 iso 0 dist 7.54969 9.82501 4.50572 5.15322 6.10456 9.82583 12.9689 7.92856 3.8493 12.7473 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 5.06555 8.75149 7.04864 7.75534 8.75408 4.5543 8.14689 6.42623 4.74539 5.6295 numMergedOcc 0
20 mol 120 unq 1 iso 0 dist 5.06555 8.75149 7.04864 7.75534 8.75408 4.5543 5.74365 8.95899 11.4443 8.97962 numMergedOcc 0
21 mol 120 unq 2 iso 0 dist 5.06555 8.75149 7.04864 5.61914 6.44653 6.81949 8.14689 6.42623 4.74539 3.824 numMergedOcc 0
22 mol 120 unq 3 iso 0 dist 5.06555 8.75149 7.04864 5.61914 6.44653 6.81949 5.74365 8.95899 11.4443 4.96885 numMergedOcc 0
23 mol 122 unq 0 iso 0 dist 8.47907 5.08302 9.40018 9.75696 8.37808 11.0216 12.1473 4.42563 12.9961 7.90729 numMergedOcc 0
24 mol 122 unq 1 iso 0 dist 8.47907 11.2519 6.78949 9.75696 8.37808 7.54208 12.1473 4.42563 6.80573 7.90729 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 8.34839 6.11789 8.07256 5.65129 8.56324 10.4039 14.1262 9.00072 12.8334 12.2243 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 8.34839 6.11789 8.07256 10.5295 6.70283 11.1874 14.1262 9.00072 12.8334 4.73288 numMergedOcc 0
27 mol 152 unq 2 iso 0 dist 8.34839 6.11789 8.07256 10.7929 7.16148 8.36099 14.1262 9.00072 12.8334 4.70284 numMergedOcc 0
28 mol 167 unq 0 iso 0 dist 6.53913 4.88159 5.59806 12.4033 9.87651 8.66436 5.60897 5.36671 5.09728 12.8624 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 7.94344 5.58634 4.84709 7.31014 8.82096 4.55245 10.313 9.06459 6.62122 4.15355 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 7.8128 12.3178 9.11256 5.49043 5.4638 6.84447 9.83176 8.08965 3.76405 4.75609 numMergedOcc 0
31 mol 235 unq 1 iso 0 dist 7.8128 4.27313 7.08539 5.49043 5.4638 7.38431 9.83176 8.08965 12.0808 4.75609 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 8.82778 12.0443 6.44212 11.4665 6.16342 7.97883 10.7268 4.43499 3.71488 4.32238 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 7.23956 12.7088 9.29635 15.6875 9.7748 10.8075 9.7252 4.9764 7.31817 11.8607 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 7.23956 12.7088 9.29635 15.6875 9.7748 10.8075 10.5201 6.36559 3.91224 10.9137 numMergedOcc 0
