0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 9.81211 5.51421 4.44694 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 7.11194 6.00307 4.93826 8.40051 8.65485 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.06275 14.8755 8.47617 6.41579 8.38387 12.345 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.90024 5.00932 8.47617 14.9559 8.38387 12.345 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.27156 11.3515 9.58156 8.33049 8.1599 11.1016 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 8.27156 11.2658 7.59416 8.33049 8.1599 7.04908 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 13.0144 5.9747 9.91645 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 9.83528 10.7274 4.31067 10.11 4.50572 7.54723 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 7.54969 5.76482 4.31067 12.9828 5.9747 9.91645 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 7.54969 5.76482 4.31067 9.82501 4.50572 7.54723 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 7.77678 6.99654 8.1306 4.9839 9.73174 6.9318 numMergedOcc 0
11 mol 110 unq 1 iso 0 dist 7.77678 6.99654 8.1306 4.36119 9.65418 4.29339 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 8.75149 7.04864 11.9512 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 5.06555 9.04066 8.14799 8.75149 7.04864 10.1556 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 8.47907 8.96396 8.054 5.08302 9.40018 5.45124 numMergedOcc 0
15 mol 122 unq 1 iso 0 dist 8.47907 8.96396 8.054 11.2519 6.78949 4.79314 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.94179 7.03937 6.29975 11.088 9.3894 7.49664 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.34839 14.9554 9.0847 6.11789 8.07256 11.6766 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.52413 15.6548 7.09426 16.5529 8.03995 7.40628 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 6.0639 5.18812 9.71735 4.40927 7.80299 4.20223 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 9.23836 11.5727 7.84536 13.7266 6.25429 7.42251 numMergedOcc 0
21 mol 196 unq 1 iso 0 dist 9.23836 8.10415 7.07723 13.7266 6.25429 10.0417 numMergedOcc 0
22 mol 196 unq 2 iso 0 dist 9.23836 6.1798 6.40064 13.7266 6.25429 8.51719 numMergedOcc 0
23 mol 196 unq 3 iso 0 dist 9.36732 14.2286 7.23126 5.01554 8.79558 15.4605 numMergedOcc 0
24 mol 196 unq 4 iso 0 dist 9.36732 16.543 7.82805 5.01554 8.79558 15.4921 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 9.79816 12.3761 9.85348 16.0359 7.73315 12.2182 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 7.8128 7.37236 8.84872 12.3178 9.11256 7.44501 numMergedOcc 0
27 mol 235 unq 1 iso 0 dist 7.8128 7.37236 8.84872 4.27313 7.08539 10.7196 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 9.39537 5.81253 8.39522 6.43015 6.24928 5.58605 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 7.151 8.68474 6.70123 12.4082 9.77689 4.31756 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 7.151 8.68474 6.70123 7.47195 8.51931 11.7666 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 7.23956 5.13652 9.64889 12.7088 9.29635 14.9226 numMergedOcc 0
32 mol 277 unq 3 iso 0 dist 8.33977 13.3428 6.70123 14.7999 9.77689 4.31756 numMergedOcc 0
33 mol 277 unq 4 iso 0 dist 8.33977 13.3428 6.70123 5.65499 8.51931 11.7666 numMergedOcc 0
