0 mol 42 unq 0 iso 0 dist 8.04675 6.14934 5.59383 7.39458 6.86731 10.0639 numMergedOcc 0
1 mol 42 unq 1 iso 0 dist 9.82637 8.64833 11.4997 12.99 9.76806 19.2516 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.74268 7.95122 5.22626 14.243 7.63663 12.2091 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 10.4985 8.92577 17.8406 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 6.03516 9.56324 12.9385 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 6.38977 9.64856 7.50824 5.7687 9.33945 10.6529 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 6.38977 9.69757 5.55373 5.7687 9.33945 14.2573 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 5.38959 7.34465 9.47675 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 9.75558 4.93035 6.21253 5.38959 9.47675 7.34465 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 7.80643 7.39961 5.76755 11.1371 9.19499 14.1844 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 8.12158 6.22696 6.75702 6.20858 8.76932 11.1497 numMergedOcc 0
11 mol 213 unq 0 iso 0 dist 6.82881 6.82185 5.45334 9.1852 9.75141 13.93 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 6.22077 5.52981 7.83217 4.44409 8.2088 9.82905 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 6.18486 9.93154 9.51866 7.61598 7.71761 14.1483 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 6.18486 9.18218 4.48529 7.61598 7.71761 9.8971 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.2527 7.13194 10.0191 11.2481 5.67917 12.6253 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.29203 7.62771 5.40359 14.3786 5.67917 8.96639 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 9.29203 7.80166 10.0191 14.3786 5.67917 12.6253 numMergedOcc 0
18 mol 238 unq 3 iso 0 dist 7.62771 9.29203 5.40359 14.3786 8.96639 5.67917 numMergedOcc 0
19 mol 238 unq 4 iso 0 dist 7.62771 7.80166 10.1648 14.3786 8.96639 12.6253 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 6.93507 6.42827 8.34718 5.35689 7.72708 11.455 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 7.7309 7.26647 4.63549 7.13444 9.05762 10.8774 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 7.66615 7.22438 5.40809 13.1178 7.31993 12.3168 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 7.11272 6.24808 8.84158 8.07628 8.79189 10.466 numMergedOcc 0
