0 mol 10 unq 0 iso 0 dist 8.44864 6.50444 3.92592 5.94361 5.59965 6.18431 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.95811 6.50001 6.56765 4.46394 7.46578 6.859 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 7.95811 6.50001 6.56765 10.366 7.16561 12.1329 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.99751 9.90986 5.29055 9.62452 7.35861 12.3279 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.44507 9.90986 4.76998 14.288 6.56527 6.81793 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 8.25567 9.22183 6.64374 3.9882 7.35861 9.96912 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 8.17655 8.57705 3.81317 4.32712 8.03296 8.02443 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 8.17655 8.57705 3.81317 11.1935 9.26979 9.09458 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 6.47416 8.57705 4.08868 4.32712 5.82754 8.02443 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 6.47416 8.57705 4.08868 11.1935 9.05679 9.09458 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.94696 5.08983 3.92737 9.51607 7.36769 9.25444 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 5.94696 5.08983 3.92737 12.5752 6.88901 8.46823 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 6.09626 4.77996 5.08111 6.43704 7.80873 6.11407 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 7.6005 9.87191 3.82942 10.5065 8.38606 12.0931 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 8.7583 9.21528 3.82942 14.2962 8.38606 12.0931 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.4733 5.90003 10.3622 5.73999 7.20249 9.6153 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.21194 6.76574 4.88147 4.47323 5.25109 5.74846 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 6.21194 6.76574 4.88147 4.73373 8.21618 9.37868 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 12.4352 7.54099 7.58375 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.37379 9.49163 5.8463 11.2979 8.37739 9.82043 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 8.37379 9.49163 5.8463 11.0488 9.47237 8.22922 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 5.79898 9.11416 5.30519 4.38246 6.22122 10.238 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.11072 4.97796 13.3632 5.15747 6.88827 8.60027 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 6.83113 4.97796 5.39432 5.15747 9.16942 8.60027 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 9.44134 4.97796 10.7442 6.70266 7.75216 9.65868 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 9.02071 7.15079 9.78219 4.36131 6.88827 10.0206 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 6.68863 5.72473 6.32259 10.8497 8.25485 13.4893 numMergedOcc 0
