0 mol 43 unq 0 iso 0 dist 8.90024 6.84521 5.06502 18.5048 9.74445 13.964 5.84171 6.20293 5.73819 14.445 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 6.78532 6.45462 18.5048 9.74445 15.3221 5.84171 6.20293 8.93915 14.445 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 5.8992 9.29446 11.5966 5.18488 6.7763 13.7254 11.2307 16.1547 7.9245 14.7738 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.23803 8.05028 6.94915 5.20171 9.74643 6.86702 6.32175 8.58044 9.97763 5.5332 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 8.05028 9.23803 6.94915 5.20171 6.86702 9.74643 6.32175 9.97763 8.58044 5.5332 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.99793 6.71345 11.6284 5.67441 7.25166 8.42445 6.49725 12.6649 7.5732 7.18757 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.50575 8.64107 10.4152 9.78923 6.7225 11.6732 4.82909 11.2489 4.99221 11.909 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 8.43116 6.23645 6.5838 7.46653 6.7225 10.2695 4.96719 5.11551 7.11972 5.39296 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 8.43116 6.23645 6.5838 7.46653 6.7225 10.2695 6.47836 11.4095 6.90986 11.2571 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 4.68975 8.84656 7.11631 8.95641 7.78849 14.0675 10.879 9.93925 6.37586 13.8503 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 4.68975 8.84656 7.11631 8.95641 7.78849 14.0675 16.7911 14.423 9.71307 18.3204 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 4.68975 4.9155 5.79898 8.95641 7.78849 11.4625 9.30817 9.89303 6.54501 11.454 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 4.68975 4.9155 5.79898 8.95641 7.78849 11.4625 10.879 9.93925 6.49416 13.8503 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 9.36732 9.79271 12.9389 7.21567 6.76923 14.8637 4.07683 13.1575 9.62191 11.1298 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 6.32302 6.88694 5.57838 5.47886 9.84492 10.7645 6.52416 8.22528 7.03423 11.9226 numMergedOcc 0
15 mol 229 unq 1 iso 0 dist 6.32302 6.88694 5.57838 5.47886 9.84492 10.7645 11.1919 13.2905 9.06952 15.5898 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.39537 8.97461 14.0328 6.39493 9.75174 14.7827 10.4685 13.1053 6.22714 16.5137 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 9.39537 8.97461 14.0328 6.39493 9.75174 14.7827 11.6506 11.101 7.31233 16.623 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 7.151 7.23956 11.8268 13.1772 9.98528 19.4967 15.6875 21.4606 9.7748 27.9111 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 8.53324 7.23956 7.08227 7.09461 9.02914 6.90434 15.6875 16.3537 9.7748 13.2927 numMergedOcc 0
