0 mol 26 unq 0 iso 0 dist 7.98958 5.2549 9.15677 10.7527 9.53735 10.797 5.01774 5.03531 6.33493 6.36636 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.57343 11.6128 9.31319 13.4254 6.19084 10.5906 13.8332 9.942 15.711 6.67753 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 9.57343 11.6128 9.31319 13.4254 6.19084 10.5906 13.4381 5.92771 7.13979 8.49258 numMergedOcc 0
3 mol 46 unq 2 iso 0 dist 9.57343 6.124 8.2513 13.4254 6.19084 12.8683 13.8332 9.942 16.0486 6.67753 numMergedOcc 0
4 mol 46 unq 3 iso 0 dist 9.57343 6.124 8.2513 13.4254 6.19084 12.8683 13.4381 5.92771 9.26597 8.49258 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.56015 11.935 9.84668 9.23385 7.35929 7.78153 12.5887 6.0662 6.91113 5.28622 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 7.33878 11.9395 9.7168 6.09869 9.92375 11.2659 8.71841 7.91749 6.77599 11.5773 numMergedOcc 0
7 mol 148 unq 1 iso 0 dist 7.33878 8.04205 7.38138 6.09869 9.92375 4.99768 8.71841 7.91749 10.2375 11.5773 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 9.66949 4.78033 8.1504 5.37594 9.58371 7.49843 9.83006 4.80508 6.81208 11.8112 numMergedOcc 0
9 mol 158 unq 1 iso 0 dist 9.66949 4.78033 8.1504 5.37594 9.58371 7.49843 9.52531 4.88625 5.74997 10.454 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 9.71689 10.1816 7.92766 11.9752 6.21588 5.86489 3.88985 7.8518 6.49075 8.56684 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 9.71689 7.7596 6.32652 11.9752 6.21588 11.2903 3.88985 7.8518 8.62057 8.56684 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 8.61758 4.7088 8.3035 11.1989 8.07237 7.8472 7.25055 6.03628 4.15355 4.05067 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 6.2587 9.05051 9.22576 7.53523 9.52718 4.9628 9.73619 8.08382 6.68639 5.39801 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 6.2587 9.05051 9.22576 7.53523 9.52718 4.9628 9.73619 8.08382 6.68639 5.39801 numMergedOcc 0
15 mol 289 unq 0 iso 0 dist 6.2587 9.05051 9.22576 7.53523 9.52718 4.9628 9.73619 8.08382 6.68639 5.39801 numMergedOcc 0
