0 mol 8 unq 0 iso 0 dist 4.92734 7.77271 4.85329 7.35767 8.96553 10.2611 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.57999 7.77271 12.9498 7.35767 9.62879 10.2611 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.39243 8.95294 7.04695 15.2831 9.51761 12.3965 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 6.39243 8.95294 7.04695 9.30561 7.3094 12.8594 numMergedOcc 0
4 mol 18 unq 2 iso 0 dist 9.1715 7.19022 7.04695 17.8306 9.51761 12.3965 numMergedOcc 0
5 mol 18 unq 3 iso 0 dist 9.1715 7.19022 7.04695 14.3582 7.3094 12.8594 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 5.2422 9.75011 6.29127 5.74753 9.24927 11.167 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 6.54183 8.41365 10.1332 5.65405 8.10861 5.02241 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 8.96238 7.93388 6.28202 7.43826 8.66265 11.465 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 9.70415 8.68888 17.9693 5.46309 6.65721 13.141 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 9.70415 8.68888 17.9693 11.9897 6.72123 19.035 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 8.05602 9.56188 15.8667 12.0507 5.08437 19.181 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 8.05602 9.56188 15.8667 4.72129 6.48948 13.9973 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 8.05602 9.56188 15.8667 12.0339 6.10456 20.789 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.97043 8.77794 10.8292 11.8721 9.33865 13.9977 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 8.97043 8.77794 10.8292 5.19652 6.11741 6.99777 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.88255 8.05492 7.15817 10.5726 8.73993 13.4823 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 9.33945 6.66749 8.94456 12.3624 8.40312 14.8916 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 9.19499 9.40225 7.29758 5.66289 7.44554 6.27641 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 7.11647 9.40225 8.67156 5.59399 7.66148 10.9818 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 7.11647 9.40225 8.67156 5.66289 8.94056 6.27641 numMergedOcc 0
21 mol 156 unq 3 iso 0 dist 7.98018 4.94012 4.53931 4.68187 9.83699 6.27641 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.90247 9.30874 6.25083 5.114 9.1374 6.94688 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 8.90247 9.30874 6.25083 14.0828 8.03334 12.1309 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 8.90247 5.54873 4.77278 5.114 9.1374 6.71012 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 8.90247 5.54873 4.77278 14.0828 8.03334 12.2058 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.15806 7.70781 6.23291 10.6362 7.26832 9.19704 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 7.07564 9.97425 9.36098 11.8217 8.95269 7.06793 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 7.07564 9.97425 9.36098 10.8463 6.57273 10.0414 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 7.07564 9.97425 9.36098 5.44863 5.78342 12.7072 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 9.11052 9.97425 14.7761 5.44863 5.81334 12.7072 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 5.18789 9.17225 6.17102 5.57044 8.15665 9.03492 numMergedOcc 0
