0 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
1 mol 24 unq 1 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
2 mol 24 unq 2 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
3 mol 24 unq 3 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
4 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 7.98005 12.5438 12.4814 10.9837 18.1487 9.5053 9.11311 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 8.34347 8.44506 13.2876 8.31381 8.39015 15.4838 10.9837 18.1487 9.5053 15.3903 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 6.79356 5.87468 6.21346 5.85698 9.86039 6.62229 6.41008 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 9.01812 8.37717 4.06365 11.165 12.0078 8.70863 10.3185 numMergedOcc 0
8 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
9 mol 98 unq 1 iso 0 dist 6.48948 7.26086 13.4985 7.92856 13.2057 8.67903 7.06961 9.42961 8.43352 13.6994 numMergedOcc 0
10 mol 98 unq 2 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
11 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 9.93438 6.25685 13.7162 12.7083 19.2926 9.35942 19.774 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 8.75408 8.93905 7.27181 6.42623 5.6295 9.23272 8.2619 11.9051 6.03352 11.9801 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 8.75408 8.93905 7.27181 8.95899 8.97962 14.3708 8.2619 11.9051 6.03352 16.1367 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 6.44653 8.93905 10.5192 6.42623 3.824 9.23272 8.2619 13.082 6.03352 11.9801 numMergedOcc 0
15 mol 120 unq 3 iso 0 dist 6.44653 8.93905 10.5192 8.95899 4.96885 14.3708 8.2619 13.082 6.03352 16.1367 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.80895 11.6692 9.6795 13.1439 11.8327 5.44303 15.122 numMergedOcc 0
17 mol 131 unq 1 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
18 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 9.19156 13.8965 14.7729 11.8693 17.6416 5.89564 19.542 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 9.29945 7.35824 12.5754 9.19156 13.8965 14.7729 6.77832 12.6314 5.60528 15.721 numMergedOcc 0
20 mol 175 unq 2 iso 0 dist 9.29945 9.17364 10.0424 9.19156 13.8965 18.0583 6.77832 12.6314 5.5995 15.721 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 7.13783 13.3822 12.0319 14.4523 9.53629 9.17946 21.128 numMergedOcc 0
22 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
23 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
24 mol 261 unq 0 iso 0 dist 8.45658 8.60026 6.04016 8.24356 11.4108 11.1232 12.8544 10.7876 8.61563 18.7778 numMergedOcc 0
25 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
26 mol 274 unq 1 iso 0 dist 8.49997 9.56685 12.106 9.83622 7.38951 8.10746 5.29529 11.6126 8.2997 9.2199 numMergedOcc 0
