0 mol 34 unq 0 iso 0 dist 8.3307 10.6836 6.52283 13.4902 10.3779 7.37118 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.8645 6.44604 7.78689 9.48288 8.23404 7.11491 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.3491 6.4561 7.70645 9.16212 8.13327 7.1829 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 7.50377 11.7176 8.71074 13.2276 5.75753 9.87699 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.26763 4.13187 9.04293 5.33546 3.99035 6.86517 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 8.26763 4.13187 9.04293 10.5396 6.69352 8.33791 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 8.4416 4.15002 7.92114 5.72627 4.03842 6.2576 numMergedOcc 0
7 mol 79 unq 3 iso 0 dist 8.4416 4.15002 7.92114 7.68741 10.6312 8.96069 numMergedOcc 0
8 mol 79 unq 4 iso 0 dist 8.4416 4.15002 7.92114 9.76351 9.78235 7.56495 numMergedOcc 0
9 mol 79 unq 5 iso 0 dist 7.79538 4.15002 8.18375 5.72627 3.81317 6.2576 numMergedOcc 0
10 mol 79 unq 6 iso 0 dist 7.79538 4.15002 8.18375 7.68741 4.08868 8.96069 numMergedOcc 0
11 mol 79 unq 7 iso 0 dist 7.79538 4.15002 8.18375 9.76351 6.06691 7.56495 numMergedOcc 0
12 mol 79 unq 8 iso 0 dist 6.30814 4.13187 4.78333 5.33546 4.53016 6.86517 numMergedOcc 0
13 mol 79 unq 9 iso 0 dist 6.30814 4.13187 4.78333 10.5396 6.0749 8.33791 numMergedOcc 0
14 mol 79 unq 10 iso 0 dist 6.30814 9.13196 4.74254 10.5396 6.0749 7.38548 numMergedOcc 0
15 mol 83 unq 0 iso 0 dist 5.25361 4.48523 5.35861 5.68212 10.5584 8.99451 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 4.73115 5.24671 4.94473 8.86811 6.32315 5.13405 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 8.18217 3.60864 7.0961 5.24076 12.6805 6.12453 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 8.18217 7.08284 8.26768 5.24076 12.6805 9.87447 numMergedOcc 0
19 mol 168 unq 2 iso 0 dist 5.51167 3.60864 8.21227 5.24076 4.02702 6.12453 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 7.06772 10.1931 7.65903 5.82321 7.40692 7.85698 numMergedOcc 0
21 mol 169 unq 1 iso 0 dist 7.06772 10.1931 7.65903 9.47253 9.68109 6.35799 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 6.84679 5.28021 9.34653 8.53237 12.7314 5.25762 numMergedOcc 0
23 mol 217 unq 0 iso 0 dist 8.99484 11.6282 6.19602 16.1449 9.98266 8.4493 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.30375 9.37282 8.62266 8.07169 3.80663 8.77098 numMergedOcc 0
