0 mol 7 unq 0 iso 0 dist 9.84857 7.62195 8.41173 8.57713 9.58865 12.9957 13.472 10.1841 7.38748 15.1192 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.06225 8.04327 7.02854 13.42 7.71596 8.50377 8.92491 5.22567 5.73235 10.9974 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 9.28585 4.59148 6.6146 10.156 8.6308 6.3566 13.0735 5.12529 9.06641 7.94379 numMergedOcc 0
3 mol 99 unq 0 iso 0 dist 5.33644 6.02095 6.81741 5.36117 8.23566 8.61334 5.61946 4.74328 8.68674 4.82346 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 9.49104 8.22726 5.33543 12.0027 9.21999 5.57607 15.9043 10.6104 9.88178 6.00896 numMergedOcc 0
5 mol 183 unq 0 iso 0 dist 7.38821 4.0252 7.69421 8.72592 9.82833 4.92164 7.99897 6.39127 8.29364 11.5589 numMergedOcc 0
6 mol 183 unq 1 iso 0 dist 7.38821 4.0252 7.69421 8.72592 9.82833 4.92164 11.0442 9.01399 8.97652 9.84649 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 7.252 13.2525 7.30965 9.99333 7.72242 6.16078 9.78743 5.21255 6.2016 5.83093 numMergedOcc 0
8 mol 192 unq 1 iso 0 dist 7.252 13.2525 7.30965 9.99333 7.72242 6.16078 11.7278 5.1366 8.3453 11.2722 numMergedOcc 0
9 mol 226 unq 0 iso 0 dist 8.10096 6.92911 7.20862 12.8829 9.05082 15.6116 15.606 12.3908 8.74399 20.9562 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 8.68803 6.54316 9.59937 4.53635 8.01565 8.46058 4.53228 5.94643 7.58554 7.10828 numMergedOcc 0
11 mol 259 unq 0 iso 0 dist 7.97113 6.92619 8.91916 9.69102 9.2772 15.0643 11.0717 6.40534 8.54422 15.4339 numMergedOcc 0
12 mol 259 unq 1 iso 0 dist 7.97113 6.92619 8.91916 9.69102 9.2772 15.0643 10.5924 9.57286 7.67473 17.4248 numMergedOcc 0
13 mol 259 unq 2 iso 0 dist 8.38479 11.3266 8.91916 4.76806 9.2772 15.0643 13.7519 6.40534 8.54422 15.4339 numMergedOcc 0
14 mol 259 unq 3 iso 0 dist 8.38479 11.3266 8.91916 4.76806 9.2772 15.0643 14.6605 9.57286 7.67473 17.4248 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 7.62562 10.4456 6.12202 7.60168 7.59956 5.64335 16.7249 10.3702 9.34051 14.7727 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 7.62562 10.4456 6.12202 4.77555 8.05503 13.0534 16.7249 10.3702 9.34051 17.417 numMergedOcc 0
17 mol 274 unq 2 iso 0 dist 7.62562 10.4456 6.12202 6.30262 5.59151 9.24343 16.7249 10.3702 9.34051 11.7974 numMergedOcc 0
