0 mol 7 unq 0 iso 0 dist 5.83658 4.47024 6.58469 4.91115 6.02702 8.60435 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.89145 9.95165 12.1308 16.9034 20.1569 8.77457 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.92865 9.95165 5.02333 16.9034 12.2927 8.77457 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 7.77766 8.09534 11.6473 6.24549 13.8599 8.70462 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.18518 8.63204 5.18512 10.5195 6.41575 6.39966 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.85331 4.61828 6.00575 10.7574 7.33768 9.69752 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.85331 4.61828 6.00575 12.8157 7.29868 9.36461 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 8.94173 8.83047 13.3355 12.4655 19.5543 7.75295 numMergedOcc 0
8 mol 53 unq 1 iso 0 dist 8.62669 6.95013 8.64107 7.96384 14.8992 7.75295 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 8.8058 8.4928 9.62257 11.6385 11.816 4.65127 numMergedOcc 0
10 mol 75 unq 0 iso 0 dist 7.16583 6.59253 5.36954 6.05353 9.81166 7.6433 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.57498 6.14415 9.52882 10.0156 15.8683 9.5669 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 9.24515 7.73842 11.128 14.9324 19.2926 9.35942 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 6.56115 9.02124 6.94217 17.0667 15.035 9.79069 numMergedOcc 0
14 mol 163 unq 1 iso 0 dist 6.56115 9.02124 6.94217 15.7737 13.4342 9.27496 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.01711 6.81707 5.487 6.4423 9.61462 8.1536 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 8.70197 7.70692 5.5127 6.34062 12.1236 8.03528 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.03597 4.97005 7.63746 5.80701 10.7725 7.46987 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 7.63268 9.53031 4.46081 10.4355 9.38004 5.73306 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 7.27481 9.04499 6.42798 13.0565 9.07471 9.08955 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 7.27481 9.04499 6.42798 15.9525 9.8062 8.88664 numMergedOcc 0
21 mol 222 unq 2 iso 0 dist 7.27481 9.04499 6.42798 15.2255 10.6381 7.16819 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 4.78812 7.11691 8.7909 8.64133 13.0773 9.18635 numMergedOcc 0
23 mol 272 unq 1 iso 0 dist 6.62923 7.11691 4.86504 8.64133 12.0724 9.18635 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 8.08993 5.68818 6.4399 7.98227 7.8343 9.63007 numMergedOcc 0
25 mol 284 unq 1 iso 0 dist 7.34344 5.68818 13.016 7.98227 10.7103 9.63007 numMergedOcc 0
