0 mol 18 unq 0 iso 0 dist 6.39243 8.95294 7.04695 9.9807 11.103 8.52106 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.39243 8.95294 7.04695 7.30649 9.94539 6.32451 numMergedOcc 0
2 mol 18 unq 2 iso 0 dist 9.1715 7.19022 7.04695 10.4866 11.103 8.52106 numMergedOcc 0
3 mol 18 unq 3 iso 0 dist 9.1715 7.19022 7.04695 5.31135 9.94539 6.32451 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 9.17045 7.62709 7.39653 8.60899 15.0348 9.20119 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.54183 8.41365 10.1332 5.65405 8.10861 5.02241 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.90776 6.58062 9.97281 11.1785 12.4557 5.81965 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 5.90776 6.58062 9.97281 10.9352 10.2618 7.06013 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 5.90776 6.58062 9.97281 10.8489 13.0635 9.70512 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 8.97043 8.77794 10.8292 5.19652 6.11741 6.99777 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 9.19499 9.40225 7.29758 5.66289 7.44554 6.27641 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 7.11647 9.40225 8.67156 5.66289 8.94056 6.27641 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 7.98018 4.94012 4.53931 4.68187 9.83699 6.27641 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.90247 9.30874 6.25083 5.114 9.1374 6.94688 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.90247 5.54873 4.77278 5.114 9.1374 6.71012 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 6.58792 9.30874 10.5753 5.114 9.94371 6.94688 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 6.58792 5.54873 5.88819 5.114 9.94371 6.71012 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.15806 7.70781 6.23291 10.6362 7.26832 9.19704 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 7.07564 9.97425 9.36098 11.8217 8.95269 7.06793 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 9.11052 9.97425 14.7761 11.8217 14.0676 7.06793 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 5.67917 7.90344 5.11565 12.9109 12.8275 8.14172 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 5.67917 7.90344 5.11565 12.3128 10.7456 6.77463 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 8.96639 7.90344 10.2681 12.9109 17.9526 8.14172 numMergedOcc 0
23 mol 238 unq 3 iso 0 dist 8.96639 7.90344 10.2681 12.3128 15.0311 6.77463 numMergedOcc 0
24 mol 238 unq 4 iso 0 dist 7.20244 6.19514 7.10564 6.13639 11.3173 6.05141 numMergedOcc 0
25 mol 238 unq 5 iso 0 dist 7.20244 6.19514 7.10564 5.59848 12.1196 8.09066 numMergedOcc 0
26 mol 238 unq 6 iso 0 dist 7.20244 6.19514 7.10564 7.17967 10.7762 7.2766 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.7017 8.5166 10.0774 9.78463 13.6473 7.39747 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 6.94113 7.88151 5.20486 13.3233 11.5135 6.77938 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 5.18789 9.17225 6.17102 5.57044 8.15665 9.03492 numMergedOcc 0
