0 mol 13 unq 0 iso 0 dist 9.37413 10.8881 8.00865 15.74 11.1067 5.04036 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.37413 10.8881 8.00865 7.71544 11.4587 9.44958 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 9.18487 10.8881 9.11447 15.74 13.4623 5.04036 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 9.18487 10.8881 9.11447 7.71544 4.14738 9.44958 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.62693 17.6797 9.25649 11.5426 5.88467 8.85591 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 8.62693 13.889 9.36104 11.5426 5.88467 9.67576 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 7.7868 5.19508 7.61055 11.3806 10.1809 6.73259 numMergedOcc 0
7 mol 26 unq 3 iso 0 dist 7.7868 5.19508 7.61055 10.6893 4.53839 8.60352 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 8.91418 4.15148 5.52067 9.59131 5.14132 8.19484 numMergedOcc 0
9 mol 41 unq 1 iso 0 dist 6.0961 7.51317 5.52067 10.2426 5.14132 8.19484 numMergedOcc 0
10 mol 44 unq 0 iso 0 dist 7.23261 8.17152 9.17518 10.1675 9.60832 7.03812 numMergedOcc 0
11 mol 44 unq 1 iso 0 dist 6.20069 8.17152 8.21833 10.1675 5.27237 7.03812 numMergedOcc 0
12 mol 44 unq 2 iso 0 dist 8.96501 10.0357 9.17518 14.2811 9.60832 7.03812 numMergedOcc 0
13 mol 44 unq 3 iso 0 dist 9.4798 7.37043 9.17518 13.2388 9.60832 7.03812 numMergedOcc 0
14 mol 52 unq 0 iso 0 dist 8.6668 5.45185 8.65019 13.248 8.88127 9.46302 numMergedOcc 0
15 mol 90 unq 0 iso 0 dist 9.30724 13.8613 7.54496 11.2844 4.97513 7.86269 numMergedOcc 0
16 mol 146 unq 0 iso 0 dist 9.77771 13.2483 8.68349 17.0459 9.77501 5.04351 numMergedOcc 0
17 mol 159 unq 0 iso 0 dist 8.91189 6.23157 7.13269 15.1787 8.34466 9.90625 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 8.70104 3.64474 8.21476 12.4304 14.7696 9.3832 numMergedOcc 0
19 mol 163 unq 1 iso 0 dist 8.70104 3.64474 8.21476 7.5447 6.00005 6.0247 numMergedOcc 0
20 mol 163 unq 2 iso 0 dist 8.70104 3.64474 8.21476 9.42828 9.09427 6.40873 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.70025 8.93412 7.96291 15.0055 12.5567 9.91705 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.70025 8.93412 7.96291 13.076 4.43465 7.92476 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 8.27907 7.54799 6.23898 11.2116 6.34706 9.86462 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 8.53888 4.2759 6.01071 5.86679 4.12468 5.66593 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 9.46855 5.81296 6.01071 8.28347 4.12468 5.66593 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 8.96092 11.01 6.73126 12.0244 7.49914 5.70326 numMergedOcc 0
