0 mol 21 unq 0 iso 0 dist 6.08338 5.93898 4.28381 10.6971 6.93185 6.28263 10.9364 8.23299 5.55622 8.60289 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.09058 9.17838 8.47849 8.82805 9.56852 6.07052 13.1848 16.422 9.12073 8.19993 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 5.11416 7.10439 6.14542 12.1382 9.79695 3.85385 8.87464 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 4.65521 8.68662 6.10063 6.56633 7.10439 8.96616 10.2755 9.79695 5.29727 8.87464 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 4.65521 7.4369 6.15714 6.56633 7.10439 6.14542 10.2755 9.79695 3.85385 8.87464 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.97793 9.85905 9.21694 6.45686 11.1148 7.46095 9.38371 12.9836 6.6642 8.95905 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 6.21982 6.72869 4.00608 4.85247 7.03226 7.46095 11.2783 9.24521 6.6642 8.95905 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 8.19682 9.85905 4.00608 6.45686 7.03226 7.46095 9.38371 9.24521 6.6642 8.95905 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.96555 7.13008 10.6094 7.05542 10.5687 8.98912 10.2298 4.48032 11.9597 9.60622 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 7.96555 7.13008 10.6094 10.9681 12.0529 8.93769 10.2298 4.48032 11.9597 9.91054 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 4.57832 8.73604 9.0176 10.5252 14.1488 15.0575 6.40575 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 5.42582 7.93372 5.67107 5.29786 8.73604 9.0176 10.7586 14.1488 15.0575 6.40575 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 10.1386 9.40594 5.92302 11.0743 13.2993 10.0208 6.83404 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 7.98142 6.64173 4.48306 5.63555 5.97685 8.12266 11.9764 11.2039 14.2282 7.22883 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 7.98142 9.55105 10.2172 5.63555 5.97685 9.43306 11.9764 11.2039 10.273 7.22883 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 7.37327 6.64173 4.88823 5.63555 8.9289 8.12266 11.9764 15.9559 14.2282 7.22883 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 7.37327 9.55105 14.2334 5.63555 8.9289 9.43306 11.9764 15.9559 10.273 7.22883 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 9.52936 5.96423 11.6883 8.08596 12.1114 7.58375 6.42735 7.4793 4.67256 7.54099 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 6.50589 9.30212 15.0646 9.5468 12.6896 7.77765 13.9123 15.961 13.9324 7.75216 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 6.50589 6.4611 5.70568 9.5468 12.6896 9.65868 13.9123 15.961 10.7442 7.75216 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 6.50589 6.4611 5.70568 6.70925 11.838 8.60027 12.2077 17.5774 13.3632 6.88827 numMergedOcc 0
21 mol 274 unq 3 iso 0 dist 6.50589 6.4611 5.70568 6.70925 11.838 8.60027 10.5387 11.0599 5.39432 9.16942 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 9.41725 8.9682 18.3854 7.70529 14.3284 9.26157 10.8214 11.9825 16.0346 8.20644 numMergedOcc 0
