0 mol 4 unq 0 iso 0 dist 6.05231 6.34563 4.83806 3.25279 5.51567 7.77633 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.79863 6.76332 4.8178 3.96333 9.47528 5.18338 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.31452 7.99404 8.65597 5.43912 11.1175 9.75001 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 9.31452 7.99404 8.65597 6.23648 6.47443 9.06457 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 8.80149 7.7568 5.44092 5.04485 11.5331 8.98454 numMergedOcc 0
5 mol 37 unq 1 iso 0 dist 8.26833 7.7568 5.12933 5.04485 8.51021 8.98454 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 5.76869 8.55031 10.6623 8.55766 13.0796 8.16183 numMergedOcc 0
7 mol 46 unq 1 iso 0 dist 7.70084 8.55031 10.1549 8.55766 13.7963 8.16183 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.56911 9.28585 8.74347 5.82228 11.5825 8.48639 numMergedOcc 0
9 mol 110 unq 0 iso 0 dist 9.71431 5.43052 9.44492 10.3403 12.1478 9.24252 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.29817 6.95914 5.65741 3.97541 6.10658 4.33805 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.52322 9.71223 4.83829 3.6848 7.12029 9.82338 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 8.52322 9.71223 4.83829 5.33968 8.56602 7.99933 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 9.9224 7.252 7.4314 3.81315 9.62225 7.578 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 9.39697 9.0153 13.0454 6.61517 10.6913 5.08438 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 6.9612 9.89207 5.11289 7.95009 5.66071 5.08438 numMergedOcc 0
16 mol 195 unq 2 iso 0 dist 4.86882 9.0153 5.11289 6.61517 5.66071 5.08438 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 8.52954 6.44932 7.34151 4.46929 6.50932 8.31344 numMergedOcc 0
18 mol 269 unq 0 iso 0 dist 5.51844 7.97206 7.92346 12.7945 15.0475 7.92043 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 5.75335 8.78928 7.68527 13.255 11.3096 5.63226 numMergedOcc 0
20 mol 273 unq 1 iso 0 dist 8.76527 8.78928 10.4936 13.255 11.2194 5.63226 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 7.67032 4.75866 10.8666 6.77003 14.4115 5.60922 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 9.69083 8.80555 5.2842 12.9436 8.39635 9.60873 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 5.96202 8.80418 5.2842 3.77125 8.39635 9.60873 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.18581 8.92332 15.2568 10.9968 19.2996 7.02131 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 9.18581 8.92332 15.2568 12.7808 20.0601 6.79765 numMergedOcc 0
26 mol 292 unq 2 iso 0 dist 9.18581 8.92332 15.2568 9.55943 15.7099 6.13272 numMergedOcc 0
27 mol 292 unq 3 iso 0 dist 9.18581 8.92332 15.2568 6.65781 12.4479 7.02679 numMergedOcc 0
28 mol 292 unq 4 iso 0 dist 9.18581 8.92332 15.2568 4.00064 12.009 9.08889 numMergedOcc 0
