0 mol 45 unq 0 iso 0 dist 9.17045 7.62709 7.39653 8.60899 15.0348 9.20119 12.2143 13.7975 6.89191 7.58835 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.54183 8.41365 10.1332 5.65405 8.10861 5.02241 14.4402 16.3192 6.91765 9.5589 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.54183 8.41365 10.1332 5.65405 8.10861 5.02241 10.5929 14.2075 5.06052 6.83299 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 5.90776 6.58062 9.97281 11.1785 12.4557 5.81965 11.1915 15.2227 6.99832 7.4729 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 5.90776 6.58062 9.97281 10.8489 13.0635 9.70512 11.1915 15.2227 6.99832 6.82344 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 8.97043 8.77794 10.8292 5.19652 6.11741 6.99777 12.9647 7.69052 11.7126 7.88312 numMergedOcc 0
6 mol 156 unq 0 iso 0 dist 9.19499 9.40225 7.29758 5.66289 7.44554 6.27641 7.11647 5.56175 8.67156 8.94056 numMergedOcc 0
7 mol 156 unq 1 iso 0 dist 9.19499 9.40225 7.29758 5.66289 7.44554 6.27641 13.581 8.38403 4.53931 9.83699 numMergedOcc 0
8 mol 156 unq 2 iso 0 dist 7.11647 9.40225 8.67156 5.66289 8.94056 6.27641 9.19499 5.56175 7.29758 7.44554 numMergedOcc 0
9 mol 156 unq 3 iso 0 dist 7.11647 9.40225 8.67156 5.66289 8.94056 6.27641 13.581 11.2719 4.53931 9.83699 numMergedOcc 0
10 mol 156 unq 4 iso 0 dist 7.98018 4.94012 4.53931 4.68187 9.83699 6.27641 10.0213 8.38403 7.29758 7.44554 numMergedOcc 0
11 mol 156 unq 5 iso 0 dist 7.98018 4.94012 4.53931 4.68187 9.83699 6.27641 11.8093 11.2719 8.67156 8.94056 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.90247 9.30874 6.25083 5.114 9.1374 6.94688 10.3907 8.88798 5.86342 5.98885 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 8.90247 9.30874 6.25083 5.114 9.1374 6.94688 13.7299 12.1628 6.80228 9.15386 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 8.90247 5.54873 4.77278 5.114 9.1374 6.71012 10.3907 8.88798 9.14057 5.98885 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 8.90247 5.54873 4.77278 5.114 9.1374 6.71012 13.7299 12.1628 11.6919 9.15386 numMergedOcc 0
16 mol 181 unq 4 iso 0 dist 6.58792 9.30874 10.5753 5.114 9.94371 6.94688 8.90247 6.01247 6.25083 9.1374 numMergedOcc 0
17 mol 181 unq 5 iso 0 dist 6.58792 9.30874 10.5753 5.114 9.94371 6.94688 10.3907 12.6324 5.86342 5.98885 numMergedOcc 0
18 mol 181 unq 6 iso 0 dist 6.58792 9.30874 10.5753 5.114 9.94371 6.94688 13.7299 16.5106 6.80228 9.15386 numMergedOcc 0
19 mol 181 unq 7 iso 0 dist 6.58792 5.54873 5.88819 5.114 9.94371 6.71012 8.90247 6.01247 4.77278 9.1374 numMergedOcc 0
20 mol 181 unq 8 iso 0 dist 6.58792 5.54873 5.88819 5.114 9.94371 6.71012 10.3907 12.6324 9.14057 5.98885 numMergedOcc 0
21 mol 181 unq 9 iso 0 dist 6.58792 5.54873 5.88819 5.114 9.94371 6.71012 13.7299 16.5106 11.6919 9.15386 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.15806 7.70781 6.23291 10.6362 7.26832 9.19704 12.9169 7.38516 8.66809 6.03031 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 6.15806 7.70781 6.23291 10.6362 7.26832 9.19704 17.5925 13.8543 13.231 7.80463 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 9.11052 9.97425 14.7761 11.8217 14.0676 7.06793 7.07564 5.60236 9.36098 8.95269 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 8.7017 8.5166 10.0774 9.78463 13.6473 7.39747 13.742 14.7505 6.26168 7.00034 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 6.94113 7.88151 5.20486 13.3233 11.5135 6.77938 12.4498 8.00116 4.99891 5.30224 numMergedOcc 0
