0 mol 26 unq 0 iso 0 dist 8.6112 6.88695 4.09495 6.66387 8.62693 9.16962 9.63803 5.23054 8.25132 5.84066 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.81747 9.59244 10.6918 4.07863 8.17564 6.23899 11.2945 10.8351 4.53828 8.67634 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 6.81975 9.59244 7.5168 4.07863 7.19213 6.23899 11.2945 8.08163 4.53828 8.67634 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 8.36326 8.69069 3.96825 4.41983 6.64631 8.67367 12.7434 8.97717 10.2625 9.51318 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 8.36326 8.69069 3.96825 4.41983 6.64631 8.67367 11.5834 10.5689 10.2496 9.84457 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 7.72434 7.91337 12.3603 6.02826 13.6274 7.39889 5.90003 11.4056 6.30721 6.55202 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 7.72434 7.91337 12.3603 6.02826 13.6274 7.39889 14.6053 22.2876 14.443 9.08536 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 7.12336 5.86531 5.37072 5.80615 11.5756 7.92688 13.5061 19.4466 14.8533 9.10003 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 6.91762 4.44292 5.01007 4.40049 8.02593 7.39644 7.25009 5.05961 7.10286 5.36254 numMergedOcc 0
9 mol 234 unq 0 iso 0 dist 7.50665 7.50424 5.44171 13.0543 10.881 6.16063 18.3012 18.4878 13.1872 9.11572 numMergedOcc 0
10 mol 235 unq 0 iso 0 dist 8.92054 9.11256 5.23741 14.9183 14.8164 9.58736 16.5297 18.3679 13.7306 7.02029 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.82564 9.66555 5.60375 8.92175 9.57914 7.49471 12.6412 14.2938 12.7938 5.43613 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 7.82564 9.66555 5.60375 8.92175 9.57914 7.49471 6.96382 3.72761 6.82305 7.24334 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 9.51177 9.66555 10.42 8.92175 12.4083 7.49471 12.6412 15.9221 12.7938 5.43613 numMergedOcc 0
14 mol 238 unq 3 iso 0 dist 9.51177 9.66555 10.42 8.92175 12.4083 7.49471 6.96382 5.17342 6.82305 7.24334 numMergedOcc 0
15 mol 238 unq 4 iso 0 dist 9.91136 8.67205 5.60375 5.94371 9.57914 7.49471 9.72795 14.2938 12.7938 5.43613 numMergedOcc 0
16 mol 238 unq 5 iso 0 dist 9.91136 8.67205 5.60375 5.94371 9.57914 7.49471 8.6732 3.72761 6.82305 7.24334 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 5.30455 9.12507 8.70769 4.09442 8.65525 8.37865 10.7775 11.761 4.04513 8.84648 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 5.30455 9.12507 8.70769 4.09442 8.65525 8.37865 4.95855 6.09466 7.09907 6.23661 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 7.34794 9.12507 10.0253 4.09442 10.5864 8.37865 10.7775 12.2785 4.04513 8.84648 numMergedOcc 0
20 mol 259 unq 3 iso 0 dist 7.34794 9.12507 10.0253 4.09442 10.5864 8.37865 4.95855 5.49348 7.09907 6.23661 numMergedOcc 0
