0 mol 17 unq 0 iso 0 dist 6.76604 8.58468 8.23357 7.18716 4.0384 11.7258 5.22923 9.88955 6.64199 11.4665 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.76604 7.95007 12.3685 7.18716 4.0384 13.7445 5.22923 9.88955 8.90155 11.4665 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.38139 7.99735 5.0573 6.77802 5.7037 9.165 3.42062 9.07283 7.90416 9.05737 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.38139 7.99735 5.0573 6.77802 5.7037 9.165 13.5492 12.7503 9.74553 14.5865 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.19721 6.30202 9.59858 7.49792 4.29679 7.90686 3.70802 6.51901 7.01397 4.46067 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.52742 9.37034 4.77114 8.15861 7.14242 4.8069 3.81285 6.56288 8.67342 6.67137 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.52742 9.37034 4.77114 8.15861 7.14242 4.8069 6.17121 5.97559 8.60062 7.04244 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 7.52742 9.37034 4.77114 9.27814 15.6495 17.0484 3.81285 6.56288 8.67342 12.9252 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 7.52742 9.37034 4.77114 9.27814 15.6495 17.0484 6.17121 5.97559 8.60062 15.2807 numMergedOcc 0
9 mol 85 unq 4 iso 0 dist 7.52742 6.60091 4.4924 8.15861 7.14242 10.0178 3.81285 6.56288 5.73739 6.67137 numMergedOcc 0
10 mol 85 unq 5 iso 0 dist 7.52742 6.60091 4.4924 8.15861 7.14242 10.0178 6.17121 5.97559 5.16225 7.04244 numMergedOcc 0
11 mol 85 unq 6 iso 0 dist 7.52742 6.60091 4.4924 9.27814 15.6495 14.189 3.81285 6.56288 5.73739 12.9252 numMergedOcc 0
12 mol 85 unq 7 iso 0 dist 7.52742 6.60091 4.4924 9.27814 15.6495 14.189 6.17121 5.97559 5.16225 15.2807 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.27008 8.61918 8.09812 6.01995 5.27905 4.63862 14.4611 15.9551 8.98028 11.1269 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 8.95504 7.36833 11.8638 8.00223 12.7977 11.2094 3.84631 12.2762 9.60931 6.85902 numMergedOcc 0
15 mol 176 unq 1 iso 0 dist 8.95504 7.36833 11.8638 9.60695 12.1252 9.89989 3.84631 12.2762 9.60931 10.081 numMergedOcc 0
16 mol 281 unq 0 iso 0 dist 9.18565 7.90993 9.69803 7.43535 16.2801 12.4082 3.86368 9.05453 9.39268 7.90368 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 5.06731 4.75392 6.45653 8.15636 6.00938 5.15725 11.4888 11.2189 7.82157 6.24487 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 5.06731 4.75392 6.45653 8.15636 6.00938 5.15725 5.39384 9.51547 8.39976 11.983 numMergedOcc 0
19 mol 287 unq 2 iso 0 dist 5.06731 4.75392 6.45653 7.86292 4.88961 7.67235 11.4888 11.2189 7.82157 12.9958 numMergedOcc 0
20 mol 287 unq 3 iso 0 dist 5.06731 4.75392 6.45653 7.86292 4.88961 7.67235 5.39384 9.51547 8.39976 13.1856 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 5.06731 4.75392 6.45653 8.15636 6.00938 5.15725 11.4888 11.2189 7.82157 6.24487 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 5.06731 4.75392 6.45653 8.15636 6.00938 5.15725 5.39384 9.51547 8.39976 11.983 numMergedOcc 0
23 mol 288 unq 2 iso 0 dist 5.06731 4.75392 6.45653 7.86292 4.88961 7.67235 11.4888 11.2189 7.82157 12.9958 numMergedOcc 0
24 mol 288 unq 3 iso 0 dist 5.06731 4.75392 6.45653 7.86292 4.88961 7.67235 5.39384 9.51547 8.39976 13.1856 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 5.06731 4.75392 6.45653 8.15636 6.00938 5.15725 11.4888 11.2189 7.82157 6.24487 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 5.06731 4.75392 6.45653 8.15636 6.00938 5.15725 5.39384 9.51547 8.39976 11.983 numMergedOcc 0
27 mol 289 unq 2 iso 0 dist 5.06731 4.75392 6.45653 7.86292 4.88961 7.67235 11.4888 11.2189 7.82157 12.9958 numMergedOcc 0
28 mol 289 unq 3 iso 0 dist 5.06731 4.75392 6.45653 7.86292 4.88961 7.67235 5.39384 9.51547 8.39976 13.1856 numMergedOcc 0
