0 mol 12 unq 0 iso 0 dist 4.62913 7.44542 10.1259 7.57142 9.99955 9.78092 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.44542 4.62913 10.1259 7.57142 9.78092 9.99955 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 6.77421 5.73908 11.2311 9.21957 9.85982 14.6988 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 8.56386 7.15869 13.8924 8.59447 9.55097 15.6689 numMergedOcc 0
4 mol 132 unq 0 iso 0 dist 7.16287 9.00166 11.8902 11.926 7.73306 17.8777 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.67877 5.01269 5.13345 11.7814 7.4963 10.8308 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 7.67877 5.01269 5.13345 6.58277 7.74278 8.54607 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 7.67877 5.01269 5.13345 13.7398 8.08807 11.9543 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 5.01269 7.67877 5.13345 6.58277 8.54607 7.74278 numMergedOcc 0
9 mol 133 unq 4 iso 0 dist 9.96416 7.17051 12.1681 10.218 7.74278 16.0524 numMergedOcc 0
10 mol 133 unq 5 iso 0 dist 9.96416 7.17051 12.1681 14.7367 8.54607 19.5737 numMergedOcc 0
11 mol 133 unq 6 iso 0 dist 9.96416 5.9962 9.34083 10.218 7.74278 8.08807 numMergedOcc 0
12 mol 133 unq 7 iso 0 dist 9.96416 5.9962 9.34083 14.7367 8.54607 11.9543 numMergedOcc 0
13 mol 133 unq 8 iso 0 dist 5.9962 9.96416 9.34083 10.218 8.08807 7.74278 numMergedOcc 0
14 mol 133 unq 9 iso 0 dist 5.9962 7.17051 11.2107 10.218 8.08807 16.0524 numMergedOcc 0
15 mol 215 unq 0 iso 0 dist 7.16839 5.92204 6.09605 7.05728 7.51339 10.821 numMergedOcc 0
16 mol 219 unq 0 iso 0 dist 7.26376 8.55971 10.4254 8.73781 9.48678 14.4293 numMergedOcc 0
17 mol 247 unq 0 iso 0 dist 8.21164 8.40674 11.3859 14.3657 7.49895 18.1156 numMergedOcc 0
18 mol 247 unq 1 iso 0 dist 8.21164 6.09851 11.6855 14.3657 7.49895 16.675 numMergedOcc 0
19 mol 250 unq 0 iso 0 dist 9.80833 5.43868 6.53265 10.7836 9.16575 11.1779 numMergedOcc 0
20 mol 250 unq 1 iso 0 dist 9.80833 7.02096 11.3445 10.7836 9.16575 16.3692 numMergedOcc 0
21 mol 254 unq 0 iso 0 dist 8.76115 5.17988 9.90149 14.5442 9.62779 17.37 numMergedOcc 0
22 mol 254 unq 1 iso 0 dist 8.76115 5.17988 9.90149 13.4104 8.8044 14.2123 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 6.0218 7.78355 10.2247 6.77825 6.88553 13.903 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 8.89292 8.43009 7.89565 6.32608 8.53155 12.7588 numMergedOcc 0
25 mol 283 unq 1 iso 0 dist 8.43009 8.89292 7.89565 9.5249 8.92124 15.3758 numMergedOcc 0
26 mol 293 unq 0 iso 0 dist 6.83404 7.67909 5.34794 6.89397 9.15753 12.5645 numMergedOcc 0
