0 mol 8 unq 0 iso 0 dist 9.11545 5.32972 9.95422 12.1654 8.89145 12.7683 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.11545 5.32972 9.95422 13.8674 6.92865 12.3778 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.11545 13.6956 7.65219 12.1654 8.89145 13.0138 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 9.11545 13.6956 7.65219 13.8674 6.92865 5.95251 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.96529 4.44575 8.33492 11.5235 8.18518 9.01721 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 9.39332 16.0084 8.33492 12.695 8.18518 9.01721 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 6.79758 8.93186 6.8824 5.21676 7.78708 5.3957 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 6.79758 8.93186 6.8824 7.65931 7.84393 10.38 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 6.79758 6.93144 8.33492 5.21676 7.78708 10.6828 numMergedOcc 0
9 mol 19 unq 5 iso 0 dist 6.79758 6.93144 8.33492 7.65931 7.84393 6.01189 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 6.60395 10.4102 9.85982 5.82571 5.57389 5.31976 numMergedOcc 0
11 mol 69 unq 0 iso 0 dist 9.06379 4.60479 7.32268 10.5217 8.24121 8.0675 numMergedOcc 0
12 mol 69 unq 1 iso 0 dist 9.06379 4.60479 7.32268 12.1462 8.52371 12.8766 numMergedOcc 0
13 mol 69 unq 2 iso 0 dist 9.06379 4.60479 7.32268 5.76912 6.8198 7.98306 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 8.97036 4.24969 7.73306 13.8837 6.495 11.6877 numMergedOcc 0
15 mol 132 unq 1 iso 0 dist 8.97036 4.24969 7.73306 14.8844 9.43748 11.8999 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 9.6112 12.8168 7.78154 8.99682 5.30872 7.64386 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 9.6112 4.14823 5.9183 8.99682 5.30872 5.11989 numMergedOcc 0
18 mol 143 unq 2 iso 0 dist 7.88346 11.7354 5.9183 12.628 7.5984 6.3915 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.99051 8.64792 7.87204 5.59727 8.93307 8.3331 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.64006 6.41791 8.37469 15.7646 8.9077 16.7786 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 5.95601 5.74427 5.22312 6.23286 8.0007 6.44004 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 7.50128 7.03151 9.26431 4.66984 9.10813 9.6645 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 7.23537 5.16837 7.78736 9.70142 6.86342 11.5163 numMergedOcc 0
24 mol 284 unq 1 iso 0 dist 6.05336 6.51653 7.78736 8.82631 7.2795 11.6982 numMergedOcc 0
25 mol 284 unq 2 iso 0 dist 6.05336 6.51653 7.78736 13.559 9.41428 15.042 numMergedOcc 0
26 mol 284 unq 3 iso 0 dist 6.05336 6.38423 8.19742 8.82631 7.2795 5.36955 numMergedOcc 0
27 mol 284 unq 4 iso 0 dist 6.05336 6.38423 8.19742 13.559 9.41428 10.6793 numMergedOcc 0
