0 mol 8 unq 0 iso 0 dist 8.89145 9.95165 12.1308 9.31461 11.4855 9.25055 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.92865 9.95165 5.02333 9.31461 5.96331 9.25055 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.78708 8.75332 6.62608 9.97466 8.32752 11.1564 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 7.84393 8.75332 6.49317 9.97466 6.3033 11.1564 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.18518 8.63204 5.18512 5.96899 9.32418 11.0047 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 5.36645 7.31914 7.34452 5.43913 3.63758 7.04689 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 5.36645 7.31914 7.34452 8.26877 6.88863 12.5922 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 6.30103 6.97288 4.24513 6.34669 9.85862 8.36026 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 7.23052 4.83761 9.70339 8.50362 9.79481 5.46636 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 5.30872 8.07799 3.86476 8.10681 7.20921 5.15315 numMergedOcc 0
10 mol 163 unq 0 iso 0 dist 6.56115 9.02124 6.94217 9.69093 4.2768 6.08019 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 8.58946 9.69541 10.3157 8.43955 6.13061 8.88237 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.08672 5.67811 5.81909 5.97886 11.0596 9.75152 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.08672 8.74308 14.4635 5.97886 11.0596 6.30542 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 9.4835 8.67237 15.3526 9.46274 4.15355 15.6339 numMergedOcc 0
15 mol 214 unq 1 iso 0 dist 9.4835 7.49436 6.00534 9.46274 4.15355 5.92503 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 7.80525 9.92698 10.4713 9.80396 12.4657 3.15936 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 7.80525 9.92698 10.4713 6.3093 5.85692 5.26612 numMergedOcc 0
18 mol 253 unq 2 iso 0 dist 7.71295 9.92698 6.89124 9.80396 8.57513 3.15936 numMergedOcc 0
19 mol 253 unq 3 iso 0 dist 7.71295 9.92698 6.89124 6.3093 6.0222 5.26612 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 7.72749 7.25797 7.26083 9.32456 7.64118 5.84172 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.81087 9.4626 7.52207 8.67957 10.7853 8.96388 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 6.47376 7.5355 6.15987 9.98182 5.84996 11.5492 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 8.08993 5.68818 6.4399 8.2236 14.4667 9.00846 numMergedOcc 0
24 mol 284 unq 1 iso 0 dist 7.34344 5.68818 13.016 8.2236 12.4957 9.00846 numMergedOcc 0
