0 mol 2 unq 0 iso 0 dist 9.40823 8.66033 6.23988 9.54857 9.9859 9.57674 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 8.66033 9.40823 6.23988 9.54857 9.57674 9.9859 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.81871 9.71959 5.63739 6.13582 5.27578 8.94586 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.71959 8.81871 5.63739 6.13582 8.94586 5.27578 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 8.05456 8.74807 16.4185 9.10397 7.50825 17.3631 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.5442 8.91858 4.4628 5.18957 9.53327 12.4862 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.70384 4.4727 4.73776 6.59284 8.86612 6.84747 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 6.70384 6.70668 7.95428 6.59284 8.86612 12.9233 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 4.4727 6.70384 4.73776 6.59284 6.84747 8.86612 numMergedOcc 0
9 mol 76 unq 3 iso 0 dist 4.4727 6.70384 4.73776 10.4487 7.75436 10.1494 numMergedOcc 0
10 mol 76 unq 4 iso 0 dist 4.4727 6.70668 8.54594 6.59284 6.84747 12.9233 numMergedOcc 0
11 mol 76 unq 5 iso 0 dist 4.4727 6.70668 8.54594 10.4487 7.75436 16.0826 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 8.42082 7.76167 6.00563 6.35087 7.32163 10.5563 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 8.42082 8.63766 12.4819 6.35087 7.32163 13.1367 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 8.47493 7.83202 5.93818 6.38252 7.42372 10.5647 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 8.47493 8.7107 12.4343 6.38252 7.42372 13.062 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 8.22366 9.57307 10.024 12.9439 8.32227 13.9994 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 8.22366 8.67045 11.3075 12.9439 8.32227 14.829 numMergedOcc 0
18 mol 199 unq 0 iso 0 dist 6.6037 7.21813 5.72642 5.35076 8.64654 9.43695 numMergedOcc 0
19 mol 199 unq 1 iso 0 dist 6.6037 9.74632 6.01111 5.35076 8.64654 8.32753 numMergedOcc 0
20 mol 199 unq 2 iso 0 dist 7.21813 6.6037 5.72642 5.35076 9.43695 8.64654 numMergedOcc 0
21 mol 199 unq 3 iso 0 dist 7.21813 9.74632 10.3162 5.35076 9.43695 8.32753 numMergedOcc 0
22 mol 199 unq 4 iso 0 dist 9.74632 6.6037 6.01111 5.35076 8.32753 8.64654 numMergedOcc 0
23 mol 199 unq 5 iso 0 dist 9.74632 7.21813 10.3162 5.35076 8.32753 9.43695 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 9.10711 8.94211 8.7106 5.86273 9.28818 9.1654 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 8.94211 9.10711 8.7106 7.13021 7.32556 12.5135 numMergedOcc 0
26 mol 205 unq 2 iso 0 dist 8.94211 9.10711 8.7106 6.06387 9.28689 13.8753 numMergedOcc 0
27 mol 205 unq 3 iso 0 dist 8.94211 9.10711 8.7106 5.86273 9.1654 9.28818 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 8.87835 8.93859 9.07869 12.8447 8.87054 14.1377 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 4.58449 7.03223 7.92759 12.5597 9.05637 11.3909 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 8.01457 9.68049 12.269 6.19393 5.99119 14.6626 numMergedOcc 0
31 mol 250 unq 1 iso 0 dist 8.01457 8.19924 9.8248 6.19393 5.99119 12.5245 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 9.83824 5.49473 12.3345 5.85169 9.7659 6.1268 numMergedOcc 0
33 mol 294 unq 1 iso 0 dist 5.49473 9.83824 12.3345 5.85169 6.1268 9.7659 numMergedOcc 0
