0 mol 76 unq 0 iso 0 dist 7.63534 4.35757 8.97793 10.4541 9.85905 9.21694 9.58389 10.2879 11.062 6.72869 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 7.63534 6.55474 8.19682 10.4541 9.85905 4.00608 9.58389 10.2879 6.21982 6.72869 numMergedOcc 0
2 mol 76 unq 2 iso 0 dist 8.51543 8.36307 6.21982 5.4968 6.72869 4.00608 15.1609 10.2879 8.19682 9.85905 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 8.25679 7.09701 9.10189 5.7326 7.51139 8.40245 12.8811 12.1547 11.375 7.80898 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 5.25504 4.37893 8.75946 5.72671 5.51831 8.44919 11.3974 6.50464 14.8208 8.40422 numMergedOcc 0
5 mol 89 unq 1 iso 0 dist 5.25504 4.37893 8.75946 5.72671 5.51831 8.44919 11.7877 8.46794 15.8268 8.40425 numMergedOcc 0
6 mol 89 unq 2 iso 0 dist 5.25504 4.37893 8.75946 5.72671 5.51831 8.44919 11.8494 10.4087 15.3836 7.47974 numMergedOcc 0
7 mol 89 unq 3 iso 0 dist 5.25504 4.37893 8.75946 5.72671 5.51831 8.44919 9.35415 5.45013 13.4019 9.65149 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.22628 9.16391 9.66954 3.82475 6.39384 6.49835 11.2519 7.69052 8.66155 9.42082 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.22628 5.26498 7.64585 3.82475 6.39384 5.65471 11.2519 7.69052 12.2309 9.42082 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.75736 9.88404 8.94837 14.0091 9.00918 5.58312 17.9377 14.069 11.0162 9.10524 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.75736 9.88404 8.94837 15.5753 7.99477 9.61537 15.6314 6.90348 13.0127 5.35237 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 6.76166 6.15672 8.94837 9.88169 9.00918 5.58312 15.8865 14.069 11.0162 9.10524 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 6.76166 6.15672 8.94837 11.8593 7.99477 9.61537 13.0826 6.90348 13.0127 5.35237 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 6.44896 6.15396 8.36822 4.65378 5.64942 10.1087 9.74252 5.76246 12.1647 6.97962 numMergedOcc 0
15 mol 192 unq 1 iso 0 dist 6.44896 6.15396 8.36822 5.48435 7.43054 10.0566 9.74252 5.76246 12.1647 6.79229 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 9.85348 7.64323 8.53199 9.15328 7.33709 11.6662 14.1454 4.72474 12.0819 8.75536 numMergedOcc 0
17 mol 218 unq 1 iso 0 dist 9.85348 7.64323 8.53199 9.15328 7.33709 11.6662 12.2392 5.61978 13.6555 6.67404 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 8.9413 6.40261 9.5707 14.075 7.81215 11.8229 16.0461 10.2693 11.8897 5.64285 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 8.9413 4.48571 7.85175 14.075 7.81215 10.5304 16.0461 10.2693 13.0678 5.64285 numMergedOcc 0
20 mol 234 unq 2 iso 0 dist 4.91961 12.2893 9.5707 4.84686 7.81215 11.8229 7.14333 10.2693 11.8897 5.64285 numMergedOcc 0
21 mol 234 unq 3 iso 0 dist 4.91961 11.1927 7.85175 4.84686 7.81215 10.5304 7.14333 10.2693 13.0678 5.64285 numMergedOcc 0
22 mol 234 unq 4 iso 0 dist 7.14333 10.3017 9.39181 4.84686 5.64285 6.45373 4.91961 10.2693 10.475 7.81215 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 8.79626 12.9417 7.32211 9.92254 5.1823 4.47008 10.0531 7.218 6.98084 8.19317 numMergedOcc 0
24 mol 235 unq 1 iso 0 dist 8.79626 12.9417 7.32211 5.66713 5.70635 7.34601 10.0531 7.218 6.98084 6.29377 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 6.20344 12.9748 7.48005 5.13757 7.66153 14.0829 5.29682 4.69778 10.9591 9.07743 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.64889 10.971 9.41725 15.23 8.9682 18.3854 11.1337 11.8268 19.0768 9.57499 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 9.64889 10.971 9.41725 15.23 8.9682 18.3854 12.6823 7.08227 15.6511 5.46926 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 9.64889 10.971 9.41725 15.0167 6.92711 16.1088 12.6823 7.08227 15.6511 5.13913 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 8.99442 3.91335 9.454 6.17318 9.9182 8.68456 12.3887 10.3106 13.8513 7.30758 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 8.99442 3.91335 9.454 6.17318 9.9182 8.68456 10.2717 12.1693 14.0515 9.10788 numMergedOcc 0
31 mol 292 unq 2 iso 0 dist 8.99442 3.91335 9.454 4.77323 8.9221 7.29981 10.2717 12.1693 14.0515 8.85064 numMergedOcc 0
