0 mol 10 unq 0 iso 0 dist 7.99404 6.50444 5.04413 5.94361 10.5152 6.18431 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 9.46036 5.61567 11.5376 7.27795 16.0181 6.00377 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 9.46036 8.46981 11.3023 7.27795 16.0181 9.35623 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.98353 8.55202 10.3583 10.7567 13.2597 5.43693 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.70925 9.762 5.17759 7.25285 5.30477 5.7684 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 5.57712 9.43496 12.6233 15.7834 19.4253 6.87506 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 6.30128 4.77996 5.96497 6.43704 10.865 6.11407 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.44788 9.10803 6.14609 6.49348 5.58734 6.18678 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 5.4772 7.95999 8.13018 7.03613 10.9157 7.8929 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 8.63018 8.09774 4.79473 6.15789 9.70268 6.34626 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.68599 9.76097 6.95933 5.92811 9.92669 9.94998 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.32669 5.56446 7.13673 12.541 14.3082 7.58337 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.71223 9.18289 5.32701 6.33168 10.4322 6.56416 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.71223 6.52441 10.2318 6.33168 10.4322 6.88127 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 9.71223 6.26168 9.33116 5.18732 13.6647 9.99396 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 7.42783 8.76076 6.08875 4.0207 9.75322 8.48879 numMergedOcc 0
16 mol 196 unq 1 iso 0 dist 7.42783 4.36496 5.22098 4.0207 9.75322 5.89591 numMergedOcc 0
17 mol 196 unq 2 iso 0 dist 7.42783 7.34995 10.3324 4.0207 9.75322 9.72376 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 8.88613 5.39924 7.19464 4.32578 6.86251 7.39085 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 9.52454 8.89714 9.32473 13.9497 14.4434 5.61969 numMergedOcc 0
20 mol 273 unq 1 iso 0 dist 9.52454 8.89714 9.32473 15.8207 18.3167 9.0277 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 8.26851 4.97796 5.9397 6.70266 14.0223 9.65868 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 8.26851 4.97796 5.9397 5.15747 9.67276 8.60027 numMergedOcc 0
23 mol 274 unq 2 iso 0 dist 8.14634 4.97796 4.89003 6.70266 14.0902 9.65868 numMergedOcc 0
24 mol 274 unq 3 iso 0 dist 8.14634 4.97796 4.89003 5.15747 9.02661 8.60027 numMergedOcc 0
