0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 7.78327 13.5229 10.6558 14.7759 9.68596 11.024 16.2245 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 7.78327 13.5229 13.5227 14.7759 9.68596 15.0497 16.2245 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.54419 4.93188 4.33963 8.23075 6.7846 4.21283 5.11617 8.4051 4.90592 7.85986 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.54419 4.93188 4.33963 8.23075 6.7846 4.21283 13.1779 8.23446 9.32328 7.8619 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 8.23075 6.7846 4.21283 10.8238 8.75662 8.16324 11.0098 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 5.54419 4.93188 4.33963 4.7841 8.03955 4.97191 5.11617 8.4051 4.90592 4.30252 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 4.7841 8.03955 4.97191 13.1779 8.23446 9.32328 13.3176 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 5.54419 4.93188 4.33963 4.7841 8.03955 4.97191 10.8238 8.75662 8.16324 12.496 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.03987 5.81959 8.4666 7.03372 9.92243 6.32857 5.68392 6.85556 11.3646 11.386 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 7.39848 9.86609 6.59887 6.18002 8.95682 14.2655 12.8435 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.70481 8.85586 14.8866 7.37171 15.1432 12.6176 15.3808 9.24757 17.0441 22.417 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.70481 7.11 8.05119 7.37171 15.1432 14.2305 15.3808 9.24757 10.8937 22.417 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 9.01812 8.37717 4.06365 10.2865 7.54568 12.1999 15.3758 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.92856 8.29813 8.67903 7.06961 6.7117 8.43352 13.6994 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.10456 7.26086 6.934 7.92856 12.7473 8.67903 7.06961 4.47349 8.43352 13.6994 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.80895 11.6692 9.6795 13.7237 9.90168 8.50562 17.1537 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 7.13783 13.3822 12.0319 12.4957 6.03688 11.2584 17.7232 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 8.25985 4.04428 6.20756 4.9377 9.40808 6.57921 9.78273 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 8.27212 7.83711 8.25884 9.27788 4.22149 11.7554 4.9377 9.40808 6.57921 11.9664 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 9.83622 4.24652 8.10746 5.29529 8.52587 8.2997 9.2199 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 7.56915 8.49922 9.27829 9.83622 4.24652 13.2205 5.29529 8.52587 10.4781 9.2199 numMergedOcc 0
