0 mol 0 unq 0 iso 0 dist 7.65806 6.91778 9.15528 4.99728 9.99338 9.14271 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 10.5551 7.5706 6.04832 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.10621 8.72114 13.8829 4.87279 8.70159 6.04832 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 9.32349 13.8869 9.68136 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 5.88545 7.876 9.41935 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 4.99125 10.8237 6.23824 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.86116 8.60554 8.52463 11.4659 10.8237 6.23824 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.38394 8.60554 12.3994 11.4659 16.0099 6.23824 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 5.54419 8.4051 5.11617 13.2525 9.40259 6.23824 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 7.36323 8.4051 13.2229 13.2525 18.5567 6.23824 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 9.902 18.309 8.66571 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 9.96708 9.27838 11.6378 9.902 13.6124 8.66571 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.97049 9.82915 9.29301 12.8706 10.3643 9.35279 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 7.47541 9.82915 13.5116 12.8706 11.3324 9.35279 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.95579 7.54568 10.2865 11.3372 17.1126 8.60839 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 6.19965 7.54568 8.09967 11.3372 13.5621 8.60839 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 7.66905 7.54568 4.65335 11.3372 7.07868 8.60839 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 5.73196 9.39864 4.65335 4.60756 7.07868 8.60839 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 8.07089 12.5743 6.84692 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 8.07089 8.20656 6.84692 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 9.35224 7.01812 10.0456 8.07089 14.6339 6.84692 numMergedOcc 0
21 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 12.8256 17.5797 6.84692 numMergedOcc 0
22 mol 100 unq 4 iso 0 dist 7.47343 8.76378 15.5385 4.46114 10.653 6.87566 numMergedOcc 0
23 mol 100 unq 5 iso 0 dist 6.65086 8.30845 5.80144 12.8256 12.5743 6.84692 numMergedOcc 0
24 mol 100 unq 6 iso 0 dist 6.65086 8.76378 12.3577 4.46114 10.8753 6.87566 numMergedOcc 0
25 mol 100 unq 7 iso 0 dist 6.56369 8.30845 10.0456 12.8256 14.6339 6.84692 numMergedOcc 0
26 mol 100 unq 8 iso 0 dist 6.56369 8.76378 4.97045 4.46114 7.5951 6.87566 numMergedOcc 0
27 mol 100 unq 9 iso 0 dist 9.30209 8.30845 6.70236 12.8256 12.1782 6.84692 numMergedOcc 0
28 mol 100 unq 10 iso 0 dist 9.30209 8.76378 10.7791 4.46114 12.2292 6.87566 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 6.29155 6.16242 4.54648 5.47259 4.51266 6.49688 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 6.80239 5.87634 4.54648 4.70102 4.51266 6.49688 numMergedOcc 0
31 mol 133 unq 2 iso 0 dist 7.11802 9.22661 5.92062 9.07018 9.40521 6.66076 numMergedOcc 0
32 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 9.77705 10.4619 8.20406 numMergedOcc 0
33 mol 170 unq 1 iso 0 dist 9.76807 6.35982 4.34698 5.36359 11.5324 7.19802 numMergedOcc 0
34 mol 170 unq 2 iso 0 dist 9.76807 6.35982 4.34698 8.84552 11.7022 7.75807 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 5.87996 12.0793 8.91675 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 7.63312 5.9176 5.63555 5.83639 8.47008 6.2176 numMergedOcc 0
37 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 13.1319 19.2978 9.38888 numMergedOcc 0
38 mol 234 unq 1 iso 0 dist 8.92474 7.32499 4.4288 13.1319 13.6608 9.38888 numMergedOcc 0
39 mol 249 unq 0 iso 0 dist 7.57994 5.48118 10.7772 6.66935 13.131 5.72442 numMergedOcc 0
40 mol 249 unq 1 iso 0 dist 6.18582 5.48118 7.04666 6.66935 9.60911 5.72442 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 6.60405 7.21311 5.63675 4.88549 8.14531 7.05518 numMergedOcc 0
42 mol 273 unq 0 iso 0 dist 9.01049 8.49177 9.25493 5.29565 6.70271 8.25037 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 5.87456 6.92434 5.0002 numMergedOcc 0
