0 mol 48 unq 0 iso 0 dist 9.48288 8.8645 8.23404 6.44604 7.11491 7.78689 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.16212 8.3491 8.13327 6.4561 7.1829 7.70645 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 5.33546 8.26763 3.99035 4.13187 6.86517 9.04293 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 5.33546 6.30814 4.53016 4.13187 6.86517 4.78333 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 5.33546 6.30814 4.53016 9.13196 9.21098 4.74254 numMergedOcc 0
5 mol 79 unq 3 iso 0 dist 5.33546 7.318 9.19585 8.49975 13.5355 9.21761 numMergedOcc 0
6 mol 79 unq 4 iso 0 dist 5.72627 8.4416 4.03842 4.15002 6.2576 7.92114 numMergedOcc 0
7 mol 79 unq 5 iso 0 dist 5.72627 7.79538 3.81317 4.15002 6.2576 8.18375 numMergedOcc 0
8 mol 79 unq 6 iso 0 dist 7.68741 8.4416 10.6312 4.15002 8.96069 7.92114 numMergedOcc 0
9 mol 79 unq 7 iso 0 dist 7.68741 7.79538 4.08868 4.15002 8.96069 8.18375 numMergedOcc 0
10 mol 79 unq 8 iso 0 dist 9.86085 8.4416 10.2278 4.15002 12.2074 7.92114 numMergedOcc 0
11 mol 79 unq 9 iso 0 dist 9.86085 7.79538 5.64395 4.15002 12.2074 8.18375 numMergedOcc 0
12 mol 79 unq 10 iso 0 dist 9.76351 8.4416 9.78235 4.15002 7.56495 7.92114 numMergedOcc 0
13 mol 79 unq 11 iso 0 dist 9.76351 7.79538 6.06691 4.15002 7.56495 8.18375 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 5.68212 5.25361 10.5584 4.48523 8.99451 5.35861 numMergedOcc 0
15 mol 83 unq 1 iso 0 dist 5.68212 5.25361 10.5584 9.79852 14.5056 8.61641 numMergedOcc 0
16 mol 91 unq 0 iso 0 dist 7.12701 9.84288 10.6223 10.8497 13.4457 7.71625 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 5.24076 8.18217 12.6805 3.60864 6.12453 7.0961 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 5.24076 8.18217 12.6805 7.08284 9.87447 8.26768 numMergedOcc 0
19 mol 168 unq 2 iso 0 dist 5.24076 5.51167 4.02702 3.60864 6.12453 8.21227 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 5.82321 7.06772 7.40692 10.1931 7.85698 7.65903 numMergedOcc 0
21 mol 169 unq 1 iso 0 dist 5.82321 7.06772 7.40692 10.5136 10.573 5.97653 numMergedOcc 0
22 mol 169 unq 2 iso 0 dist 5.82321 7.06772 7.40692 10.212 11.9922 7.75523 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.53237 6.84679 12.7314 5.28021 5.25762 9.34653 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.34312 8.9221 6.17867 10.1418 11.5353 7.72861 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 9.34312 8.9221 6.17867 7.63149 11.7606 8.20376 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.35976 6.42951 6.64795 9.21484 10.2401 5.13533 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.07169 8.30375 3.80663 9.37282 8.77098 8.62266 numMergedOcc 0
