0 mol 2 unq 0 iso 0 dist 7.26738 5.59831 9.53758 7.99162 5.7104 6.35342 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.34858 5.71662 7.53564 8.06275 5.90113 9.74445 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.67161 6.19827 5.62629 13.8462 5.33255 9.70148 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 8.87902 6.19827 6.15118 13.8462 9.70697 9.70148 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 5.37661 5.67441 8.592 6.99793 4.24853 7.25166 numMergedOcc 0
5 mol 114 unq 1 iso 0 dist 5.37661 5.67441 8.592 6.71345 9.52181 8.42445 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 9.71402 6.85647 9.44209 8.47907 11.9943 8.33083 numMergedOcc 0
7 mol 142 unq 0 iso 0 dist 6.54706 7.25495 5.1557 11.4335 4.93017 8.48413 numMergedOcc 0
8 mol 142 unq 1 iso 0 dist 6.54706 7.25495 5.1557 8.86346 6.01403 7.57458 numMergedOcc 0
9 mol 142 unq 2 iso 0 dist 4.56239 5.20379 5.1557 9.02916 4.93017 8.48413 numMergedOcc 0
10 mol 142 unq 3 iso 0 dist 4.56239 5.20379 5.1557 4.93681 6.01403 7.57458 numMergedOcc 0
11 mol 142 unq 4 iso 0 dist 5.49328 11.3375 9.5355 14.9471 10.106 8.48413 numMergedOcc 0
12 mol 142 unq 5 iso 0 dist 5.49328 11.3375 9.5355 11.9068 8.68855 7.57458 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 5.56994 6.02972 8.34508 10.0247 12.7636 7.30021 numMergedOcc 0
14 mol 174 unq 0 iso 0 dist 9.68082 9.44394 8.67807 16.9975 11.932 8.76218 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.8328 5.02351 4.35909 9.74465 5.32859 7.44191 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.8328 12.774 5.77393 9.74465 5.32859 6.00053 numMergedOcc 0
17 mol 185 unq 0 iso 0 dist 9.07454 7.84727 6.11382 12.1416 10.9948 8.04591 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.54031 11.0704 7.96759 17.0843 16.2851 8.48112 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 6.35905 8.25829 7.96759 14.8703 16.2851 8.48112 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 4.67943 5.73852 9.05082 10.2552 10.78 9.5723 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 9.17246 9.99215 9.27643 13.39 6.63414 8.43766 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.69741 6.71673 6.32593 11.5605 6.53984 9.75174 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 9.20248 12.7518 4.21935 8.82778 4.77446 6.37342 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 6.89781 11.0263 9.96645 9.13226 6.04536 9.696 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 6.89781 13.0361 9.29005 12.6182 10.2696 6.00877 numMergedOcc 0
26 mol 274 unq 2 iso 0 dist 6.89781 9.7346 8.16746 12.6182 10.2696 8.66451 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 7.53963 14.7434 9.9227 13.3149 5.80223 8.85762 numMergedOcc 0
