0 mol 26 unq 0 iso 0 dist 7.98958 5.2549 9.15677 5.01774 5.03531 6.33493 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.57343 11.6128 9.31319 13.8332 9.942 15.711 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 9.57343 11.6128 9.31319 13.4381 5.92771 7.13979 numMergedOcc 0
3 mol 46 unq 2 iso 0 dist 9.57343 6.124 8.2513 13.8332 9.942 16.0486 numMergedOcc 0
4 mol 46 unq 3 iso 0 dist 9.57343 6.124 8.2513 13.4381 5.92771 9.26597 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.56015 11.935 9.84668 12.5887 6.0662 6.91113 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 6.12598 5.24418 7.43775 12.5207 8.88554 9.78876 numMergedOcc 0
7 mol 122 unq 1 iso 0 dist 6.12598 9.66073 8.09594 12.5207 8.88554 4.59202 numMergedOcc 0
8 mol 122 unq 2 iso 0 dist 7.15796 9.42426 7.43775 3.42135 8.88554 9.78876 numMergedOcc 0
9 mol 122 unq 3 iso 0 dist 7.15796 5.77589 8.09594 3.42135 8.88554 4.59202 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 9.06373 4.4932 8.87148 9.43546 9.85144 6.21159 numMergedOcc 0
11 mol 136 unq 0 iso 0 dist 6.6829 5.64371 6.53519 6.12765 7.75661 4.22085 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 7.33878 11.9395 9.7168 8.71841 7.91749 6.77599 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 7.33878 8.04205 7.38138 8.71841 7.91749 10.2375 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 7.48646 11.9366 9.61132 8.80584 7.96309 6.74495 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 7.48646 7.9422 7.34423 8.80584 7.96309 10.2651 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 9.66949 4.78033 8.1504 9.83006 4.80508 6.81208 numMergedOcc 0
17 mol 158 unq 1 iso 0 dist 9.66949 4.78033 8.1504 9.52531 4.88625 5.74997 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 4.39804 7.74458 5.80867 6.88195 7.48253 4.27652 numMergedOcc 0
19 mol 198 unq 1 iso 0 dist 9.77781 5.21925 5.80867 5.73959 7.48253 4.27652 numMergedOcc 0
20 mol 198 unq 2 iso 0 dist 7.88734 7.74458 9.4363 6.88195 6.13687 4.27652 numMergedOcc 0
21 mol 198 unq 3 iso 0 dist 8.80253 5.21925 9.4363 5.73959 6.13687 4.27652 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 9.71689 10.1816 7.92766 3.88985 7.8518 6.49075 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 9.71689 7.7596 6.32652 3.88985 7.8518 8.62057 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 8.61758 4.7088 8.3035 7.25055 6.03628 4.15355 numMergedOcc 0
25 mol 214 unq 1 iso 0 dist 5.45548 4.7088 9.01896 4.26898 7.81831 7.79075 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 6.2587 9.05051 9.22576 9.73619 8.08382 6.68639 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 6.2587 9.05051 9.22576 9.73619 8.08382 6.68639 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 6.2587 9.05051 9.22576 9.73619 8.08382 6.68639 numMergedOcc 0
