0 mol 39 unq 0 iso 0 dist 6.24515 8.56189 9.02925 8.19733 5.14532 5.00813 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 6.47855 11.3851 9.02925 9.95025 5.14532 5.00813 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 9.48031 7.29013 9.76979 8.57165 5.93538 5.00813 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.58829 12.2529 8.56365 19.1836 14.3081 7.05619 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.04903 5.27573 8.21895 9.87677 7.97193 9.71949 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.05495 7.59464 6.46549 12.6441 9.16969 9.81554 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 7.26955 3.71283 6.21165 9.05798 7.34151 8.34342 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 7.26955 3.71283 6.21165 5.85818 11.7884 7.62197 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 7.26955 3.71283 6.21165 11.8971 5.93976 9.31621 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 6.98158 10.624 7.4442 11.7916 5.19611 6.28471 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 7.31037 8.16657 8.40695 12.6855 12.612 5.4206 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 7.31037 11.0792 9.35867 12.6855 12.612 9.56763 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 9.30424 4.19541 7.2932 6.40901 5.99865 7.22 numMergedOcc 0
13 mol 146 unq 0 iso 0 dist 6.50043 6.19717 6.73137 8.68349 7.20408 8.71836 numMergedOcc 0
14 mol 146 unq 1 iso 0 dist 9.44952 6.19717 5.95148 8.68349 6.00811 8.71836 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 9.6096 5.30823 4.6512 6.39981 10.3886 8.06621 numMergedOcc 0
16 mol 188 unq 0 iso 0 dist 9.33696 4.61059 8.4784 7.48284 5.87427 6.18257 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 7.69296 3.92649 5.05626 7.39624 4.23527 6.20118 numMergedOcc 0
18 mol 256 unq 0 iso 0 dist 9.18903 8.80744 8.08629 14.9362 11.299 8.72093 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.43034 6.50127 6.23115 7.25677 5.43373 8.78893 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 6.43034 6.50127 6.23115 6.73126 7.17477 4.61089 numMergedOcc 0
