0 mol 21 unq 0 iso 0 dist 9.28339 8.90496 13.4438 9.24767 10.8575 3.76294 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 8.97549 8.90496 6.50188 9.24767 4.0454 3.76294 numMergedOcc 0
2 mol 21 unq 2 iso 0 dist 8.32279 8.90496 7.9574 9.24767 10.0518 3.76294 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.79578 9.46449 7.03665 6.94712 7.72003 3.81228 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.53862 8.44761 13.66 6.09085 9.94188 5.75753 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 9.53862 6.81124 9.85739 6.09085 9.94188 5.26311 numMergedOcc 0
6 mol 68 unq 2 iso 0 dist 6.88001 6.27321 13.0367 6.72469 10.6564 7.71726 numMergedOcc 0
7 mol 68 unq 3 iso 0 dist 6.88001 8.44761 8.51311 6.09085 3.62638 5.75753 numMergedOcc 0
8 mol 68 unq 4 iso 0 dist 6.88001 6.81124 6.18534 6.09085 3.62638 5.26311 numMergedOcc 0
9 mol 70 unq 0 iso 0 dist 8.35292 6.13606 6.43145 8.63204 4.40298 8.92835 numMergedOcc 0
10 mol 70 unq 1 iso 0 dist 8.35292 6.13606 6.43145 5.4014 5.42458 5.07553 numMergedOcc 0
11 mol 70 unq 2 iso 0 dist 7.9945 8.42287 6.43145 9.19079 4.40298 8.92835 numMergedOcc 0
12 mol 70 unq 3 iso 0 dist 7.9945 8.42287 6.43145 8.37742 5.42458 5.07553 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 5.39344 8.64736 13.8643 7.10218 8.02989 12.669 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 7.45209 8.4204 5.04455 7.84956 12.6953 12.8132 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 7.45209 8.4204 5.04455 8.57607 12.4753 15.7954 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 7.45209 8.4204 5.04455 6.1991 6.52247 10.4348 numMergedOcc 0
17 mol 95 unq 3 iso 0 dist 7.45209 8.4204 5.04455 5.96246 5.89506 5.88327 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 9.17931 8.59976 10.0002 8.89822 8.84887 7.33583 numMergedOcc 0
19 mol 169 unq 1 iso 0 dist 9.17931 9.71763 9.06592 8.89822 8.84887 3.95773 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.28543 5.0778 7.18246 8.08491 12.281 5.60628 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.67898 6.90717 11.1989 5.56977 10.6488 3.91276 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 9.28036 5.88992 4.54018 9.41353 10.5578 11.304 numMergedOcc 0
23 mol 217 unq 1 iso 0 dist 9.28036 5.88992 4.54018 8.28155 10.0267 9.98266 numMergedOcc 0
24 mol 226 unq 0 iso 0 dist 5.28576 8.31751 6.62409 8.34875 3.70516 5.99712 numMergedOcc 0
25 mol 270 unq 0 iso 0 dist 8.77116 6.97639 11.4074 9.97694 9.20653 9.62847 numMergedOcc 0
26 mol 270 unq 1 iso 0 dist 7.18907 6.97639 6.61976 9.97694 5.32545 9.62847 numMergedOcc 0
