0 mol 15 unq 0 iso 0 dist 6.88546 13.452 7.07399 8.9856 4.29582 8.38064 16.2413 11.7302 9.03536 9.97507 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.36911 5.72175 6.93532 10.6491 10.4366 6.31718 16.2171 16.9082 10.8455 7.63133 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.3964 7.79468 7.29868 12.9306 8.52463 6.86014 9.85198 8.60554 10.0952 8.86116 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.3964 9.85198 8.60554 12.9306 8.52463 8.86116 7.79468 7.29868 10.0952 6.86014 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.61491 13.395 6.85556 14.2542 5.68392 6.03987 16.3161 9.79094 4.51512 7.31767 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 8.04272 10.0675 9.90939 8.8058 7.04075 8.7531 5.09908 10.5084 7.29309 8.33063 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.04272 10.0675 9.90939 8.8058 7.04075 8.7531 12.5818 10.1323 5.67502 6.43294 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.66506 12.8388 9.24757 5.79954 5.11416 9.96396 14.1415 13.8696 15.7123 9.38498 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.66506 12.8388 9.24757 5.79954 5.11416 9.96396 9.65653 13.0145 12.016 9.75218 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.18097 10.5346 9.82915 15.5717 9.29301 7.97049 14.4957 12.0078 5.42586 6.19965 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 9.18097 10.5346 9.82915 17.3382 13.5116 7.47541 14.4957 12.0078 5.42586 7.66905 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 9.18097 10.5346 9.82915 17.3382 13.5116 7.47541 15.3445 14.4382 6.87425 5.73196 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 8.83135 18.2314 9.82915 14.5836 9.29301 7.97049 18.8965 12.0078 5.42586 6.19965 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 8.83135 18.2314 9.82915 20.3056 13.5116 7.47541 18.8965 12.0078 5.42586 7.66905 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 8.83135 18.2314 9.82915 20.3056 13.5116 7.47541 22.5078 14.4382 6.87425 5.73196 numMergedOcc 0
15 mol 85 unq 6 iso 0 dist 9.04728 3.85308 7.54568 9.8682 8.09967 6.19965 5.75796 10.0796 5.42586 7.97049 numMergedOcc 0
16 mol 85 unq 7 iso 0 dist 9.04728 3.85308 7.54568 9.22376 4.65335 7.66905 5.75796 10.0796 5.42586 7.47541 numMergedOcc 0
17 mol 85 unq 8 iso 0 dist 9.04728 3.85308 7.54568 9.22376 4.65335 7.66905 9.77828 9.39864 10.1164 5.73196 numMergedOcc 0
18 mol 85 unq 9 iso 0 dist 9.04728 9.77828 9.39864 9.22376 4.65335 5.73196 5.75796 10.0796 6.87425 7.47541 numMergedOcc 0
19 mol 85 unq 10 iso 0 dist 9.04728 9.77828 9.39864 9.22376 4.65335 5.73196 3.85308 7.54568 10.1164 7.66905 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 6.56978 6.23541 7.10378 13.0766 10.6848 7.17106 16.3396 14.8081 11.5403 9.60661 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 6.56978 6.23541 7.10378 13.0766 10.6848 7.17106 13.9202 15.2289 8.87654 9.35224 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 7.32407 5.99695 9.36851 10.482 10.7293 5.83384 11.2246 16.0242 9.05135 9.61051 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 6.48695 5.99695 4.97175 10.482 7.29399 5.83384 11.2246 13.4182 9.05135 9.61051 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 8.79832 7.42609 9.77896 6.6776 8.29015 6.57069 13.7028 10.4182 8.16421 9.0018 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 8.79832 7.42609 9.77896 6.6776 8.29015 6.57069 10.4662 11.6765 5.35493 5.6234 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 8.82861 9.54287 7.32294 7.7292 5.86489 8.51516 13.4646 11.5776 10.8344 7.10633 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 7.46122 10.6943 6.59716 8.9077 7.11498 9.23153 15.396 13.1498 10.5449 8.24498 numMergedOcc 0
