0 mol 20 unq 0 iso 0 dist 5.21143 8.36009 9.0513 5.99677 6.29581 12.4397 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 5.75338 8.36009 4.49878 5.99677 8.39179 12.4397 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.12513 5.23918 6.64571 13.6588 6.9762 13.3299 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 5.40928 7.34645 6.36433 5.54632 5.76805 6.7303 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 5.40928 7.34645 6.36433 6.54847 9.75406 13.4749 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 5.76805 9.87737 10.0384 5.54632 5.40928 10.4704 numMergedOcc 0
6 mol 70 unq 3 iso 0 dist 5.76805 9.87737 10.0384 11.3508 9.75406 16.4792 numMergedOcc 0
7 mol 70 unq 4 iso 0 dist 5.76805 6.7303 6.36433 5.54632 5.40928 7.34645 numMergedOcc 0
8 mol 70 unq 5 iso 0 dist 5.76805 6.7303 6.36433 11.3508 9.75406 13.4749 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 6.15011 4.96173 3.79182 5.56318 6.14674 4.55309 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 6.14674 4.55309 3.79182 5.56318 6.15011 4.96173 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.35647 6.90456 3.90693 7.12648 4.88366 8.14525 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 4.88366 8.14525 3.90693 7.12648 7.35647 6.90456 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 8.59976 7.07933 5.68902 13.0819 9.03552 8.29054 numMergedOcc 0
14 mol 169 unq 1 iso 0 dist 9.71763 7.07933 3.83687 13.0819 5.77897 8.29054 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 6.19189 9.6283 5.70845 10.9361 8.34668 9.81302 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 8.34668 8.86574 15.131 10.9361 6.19189 18.2032 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 9.75046 7.25217 4.97547 11.2419 6.73371 10.6206 numMergedOcc 0
18 mol 198 unq 1 iso 0 dist 9.75046 9.07122 6.81043 11.2419 6.73371 10.1934 numMergedOcc 0
19 mol 198 unq 2 iso 0 dist 9.75046 9.84293 5.92533 11.2419 6.73371 5.84588 numMergedOcc 0
20 mol 198 unq 3 iso 0 dist 6.73371 5.84588 5.92533 11.2419 9.75046 9.84293 numMergedOcc 0
21 mol 198 unq 4 iso 0 dist 6.73371 9.36442 10.1833 11.2419 9.75046 12.4346 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 9.37981 7.00922 9.48693 7.66467 8.31751 13.0911 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 8.08581 5.49475 3.66752 9.1359 5.98104 7.8548 numMergedOcc 0
24 mol 235 unq 1 iso 0 dist 5.98104 7.8548 3.66752 9.1359 8.08581 5.49475 numMergedOcc 0
