0 mol 1 unq 0 iso 0 dist 5.55208 9.35554 10.1549 5.99543 9.48433 9.00903 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 6.5933 9.35554 11.2541 5.99543 12.0275 9.00903 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 7.46191 9.35554 7.79638 5.99543 11.7394 9.00903 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 6.63423 9.20552 6.70503 15.1647 14.9053 8.41585 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.62742 6.49709 6.64342 5.51815 10.4984 4.61088 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 9.18013 5.36895 4.21535 5.07641 12.0174 7.99312 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 9.18013 5.36895 4.21535 8.54745 11.6514 8.2183 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.36315 6.84521 14.141 5.84171 15.1642 5.73819 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 9.36315 8.90024 16.9053 13.9129 23.1479 8.80331 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 9.36315 8.90024 16.9053 5.84171 15.1642 6.20293 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 9.36315 6.78532 11.5022 5.84171 15.1642 8.93915 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 8.09741 7.96299 7.39819 6.75623 8.14057 5.83409 numMergedOcc 0
12 mol 90 unq 1 iso 0 dist 8.43532 7.96299 12.4809 6.75623 14.48 5.83409 numMergedOcc 0
13 mol 94 unq 0 iso 0 dist 6.33571 6.31237 9.24549 6.26149 12.4139 7.89459 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 5.55005 9.23803 9.64513 6.32175 11.0717 8.58044 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 5.55005 8.05028 6.4683 6.32175 11.0717 9.97763 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.82774 7.5055 4.28997 10.9541 11.7225 8.22656 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 7.82774 7.5055 4.28997 5.61003 9.45717 6.82262 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 9.15244 6.53913 7.79718 12.4033 17.371 9.87651 numMergedOcc 0
19 mol 167 unq 1 iso 0 dist 8.08948 6.53913 12.3929 12.4033 16.4611 9.87651 numMergedOcc 0
20 mol 209 unq 0 iso 0 dist 9.53736 5.92907 7.92746 5.35615 12.6457 7.56373 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.01913 8.14644 15.7646 12.2116 18.1733 9.23153 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 8.01913 8.14644 15.7646 12.2916 20.0689 8.24498 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 8.44619 8.14754 8.82986 7.43271 11.0486 5.81334 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 9.7833 9.2067 7.14483 9.88911 13.0578 6.42289 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 9.5565 6.65233 6.07245 7.78423 12.0073 9.17653 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 8.79534 7.77765 16.3624 9.62211 14.8278 8.15665 numMergedOcc 0
