0 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 11.5334 7.1589 6.37974 5.20528 9.29301 9.82915 8.70863 numMergedOcc 0
1 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 11.5334 7.1589 5.08358 5.20528 9.29301 12.0078 8.70863 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 5.90298 7.26086 7.32662 11.7625 7.06961 6.7117 8.43352 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 5.90298 7.26086 13.4985 11.7625 7.06961 9.42961 8.43352 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 9.83528 8.06684 6.10456 5.90298 7.26086 6.934 11.7625 7.06961 4.47349 8.43352 numMergedOcc 0
5 mol 98 unq 3 iso 0 dist 7.54969 11.7493 5.08437 8.8736 7.26086 7.32662 9.49967 7.06961 6.7117 8.43352 numMergedOcc 0
6 mol 98 unq 4 iso 0 dist 7.54969 10.3366 6.48948 8.8736 7.26086 13.4985 9.49967 7.06961 9.42961 8.43352 numMergedOcc 0
7 mol 98 unq 5 iso 0 dist 7.54969 5.15322 6.10456 8.8736 7.26086 6.934 9.49967 7.06961 4.47349 8.43352 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 6.51881 6.34525 11.128 15.811 12.7083 19.2926 9.35942 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 5.06555 7.75534 8.75408 10.214 8.93905 7.27181 10.8414 8.2619 11.9051 6.03352 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 5.06555 5.61914 6.44653 10.214 8.93905 10.5192 10.8414 8.2619 13.082 6.03352 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.27794 4.89429 9.09537 8.07046 7.20392 5.93488 13.9347 12.9468 9.72611 7.11785 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.14644 12.2116 9.23153 6.53366 5.45036 6.17628 11.3009 7.11498 6.59716 5.37796 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 8.14644 12.2916 8.24498 6.53366 5.45036 10.4136 11.3009 7.11498 13.1498 5.37796 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 14.1473 7.83711 8.25884 11.059 4.9377 9.40808 6.57921 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 5.00301 7.99477 7.42673 12.2653 13.2927 15.8417 9.91199 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 6.65233 7.78423 9.17653 6.79049 6.14323 13.0621 9.76928 5.24812 13.6942 7.21655 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 12.9095 9.56685 5.90436 6.74022 5.29529 8.52587 8.2997 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 9.13226 11.3302 8.49997 12.9095 9.56685 12.106 6.74022 5.29529 11.6126 8.2997 numMergedOcc 0
