0 mol 0 unq 0 iso 0 dist 8.85565 7.79297 7.49611 10.5165 9.94618 12.4363 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 7.26738 7.99162 5.7104 5.59831 9.53758 6.35342 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 7.02225 9.31285 7.41754 5.13908 5.31026 10.7016 numMergedOcc 0
3 mol 4 unq 1 iso 0 dist 7.02225 8.66947 12.1293 5.13908 5.31026 13.0418 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 7.92316 8.48743 5.95307 8.88594 8.77648 13.7209 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.34858 8.06275 5.90113 5.71662 7.53564 9.74445 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 8.67161 9.91591 6.17445 7.79829 8.34632 13.4059 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 8.67161 9.91591 6.17445 6.19827 5.62629 10.1839 numMergedOcc 0
8 mol 55 unq 2 iso 0 dist 8.87902 9.91591 7.21232 6.19827 6.15118 10.1839 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 9.25184 5.9651 9.32604 13.3118 8.06263 15.572 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 8.53232 8.29727 9.22675 9.44358 8.12966 15.3358 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 4.48773 9.25901 5.51793 4.78804 8.39015 11.8197 numMergedOcc 0
12 mol 90 unq 1 iso 0 dist 4.48773 7.96299 6.1985 4.78804 8.39015 12.6828 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 5.37661 6.99793 4.24853 5.67441 8.592 7.25166 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 5.37661 6.71345 9.52181 5.67441 8.592 8.42445 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 9.71402 8.47907 11.9943 6.85647 9.44209 8.33083 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 6.54706 8.86346 6.01403 7.25495 5.1557 7.57458 numMergedOcc 0
17 mol 142 unq 1 iso 0 dist 4.56239 4.93681 6.01403 5.20379 5.1557 7.57458 numMergedOcc 0
18 mol 142 unq 2 iso 0 dist 5.49328 9.57509 6.23135 11.3375 9.5355 10.4484 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 7.24761 8.04723 12.0146 5.50567 7.82796 12.1615 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.8328 9.74465 5.32859 5.02351 4.35909 7.44191 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 8.8328 9.74465 5.32859 12.774 5.77393 6.00053 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.20248 8.82778 4.77446 12.7518 4.21935 6.37342 numMergedOcc 0
23 mol 267 unq 0 iso 0 dist 6.40976 7.94474 5.75453 9.70436 5.32643 10.9869 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 6.89781 9.13226 6.04536 11.0263 9.96645 9.696 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 6.89781 9.13226 6.04536 13.0361 9.29005 11.5132 numMergedOcc 0
26 mol 274 unq 2 iso 0 dist 6.89781 9.13226 6.04536 9.7346 8.16746 12.0331 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 7.53963 6.94723 10.9032 7.07259 9.047 12.8659 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 7.53963 6.94723 10.9032 14.7434 9.9227 20.2501 numMergedOcc 0
29 mol 281 unq 0 iso 0 dist 9.70995 9.37845 18.3077 10.1358 9.61122 18.519 numMergedOcc 0
