0 mol 44 unq 0 iso 0 dist 9.53901 13.4307 7.42925 15.7104 6.30672 7.48846 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.10175 5.01159 5.7405 13.2094 14.2744 9.17082 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 8.87856 4.81103 4.94406 6.04768 11.3708 7.14031 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 6.2491 4.81103 7.2337 6.04768 7.43547 7.14031 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 3.59451 7.22196 7.2337 9.40173 7.43547 7.14031 numMergedOcc 0
5 mol 125 unq 0 iso 0 dist 6.6081 7.74181 9.2657 13.4559 12.5885 6.33431 numMergedOcc 0
6 mol 125 unq 1 iso 0 dist 9.64304 8.27647 9.2657 11.3819 12.5885 6.33431 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 8.51265 13.1683 7.35385 13.5175 7.20376 6.75376 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 8.51265 9.00056 8.35864 13.5175 7.20376 9.10042 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 8.51265 9.00056 8.35864 13.8137 10.1764 9.75059 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 8.51265 9.00056 8.35864 12.3922 14.3045 6.83404 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.47989 6.07262 8.32227 8.32841 5.46268 5.9976 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 6.47989 6.07262 8.32227 6.00295 4.78734 6.86566 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 6.67598 5.02458 9.6281 10.6749 9.69888 8.37434 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 8.34508 17.0458 9.6281 15.6807 9.69888 8.37434 numMergedOcc 0
15 mol 156 unq 4 iso 0 dist 8.79185 5.02458 6.22667 10.6749 5.36066 8.37434 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 5.77393 9.86163 5.67112 9.8283 5.87168 5.94379 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 5.13722 4.84884 5.0207 6.65725 8.44389 7.54099 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 7.72242 6.75301 9.99783 14.746 12.9926 9.36796 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 7.33708 4.82887 6.23146 14.1975 13.2043 9.8664 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 4.46314 8.15893 6.23146 12.0997 13.2043 9.8664 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 8.11884 12.3321 7.40057 13.0217 10.7996 6.33496 numMergedOcc 0
22 mol 256 unq 1 iso 0 dist 8.11884 12.3321 7.40057 9.31961 6.82173 6.00636 numMergedOcc 0
23 mol 256 unq 2 iso 0 dist 8.11884 12.3321 7.40057 19.9016 14.0229 7.81448 numMergedOcc 0
24 mol 256 unq 3 iso 0 dist 8.11884 12.3321 7.40057 19.5828 15.2736 8.54499 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 8.19772 11.7401 7.49913 19.1171 11.806 8.984 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 8.17922 4.48276 8.30714 11.3455 8.44509 7.75216 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 8.16746 6.84952 9.02661 12.6353 14.7933 6.88827 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 8.16746 6.84952 9.02661 12.12 7.09841 9.16942 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 9.42812 13.008 5.92532 7.88238 5.10104 8.20644 numMergedOcc 0
