0 mol 24 unq 0 iso 0 dist 9.67696 11.9066 9.69752 11.3578 4.32034 6.60423 5.92191 7.33768 6.00575 6.86014 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.67696 11.9066 9.69752 11.3578 4.32034 6.60423 15.5138 12.9284 5.97304 8.86116 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.01238 16.9951 9.5053 17.1042 10.9837 8.44506 23.2552 18.1487 13.2876 8.34347 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 6.34031 13.478 9.5669 13.8338 9.75737 7.12017 19.7408 15.8683 9.52882 6.45675 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 6.34031 13.478 9.5669 13.8338 9.75737 7.12017 21.1211 16.5404 12.6602 7.47343 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 6.34031 13.478 9.5669 13.8338 9.75737 7.12017 17.8904 16.3323 14.8674 8.86688 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.19198 5.25155 6.03352 13.8792 8.2619 8.93905 11.7947 11.9051 7.27181 8.75408 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 8.19198 5.25155 6.03352 13.8792 8.2619 8.93905 15.6607 13.082 10.5192 6.44653 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.9967 5.82527 5.56627 12.1672 7.7567 8.86329 10.0484 9.90168 5.89022 8.40312 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 8.9967 5.82527 5.56627 13.952 8.23791 8.71039 10.0484 9.90168 5.89022 7.12972 numMergedOcc 0
10 mol 131 unq 2 iso 0 dist 8.9967 14.2635 8.50562 13.952 8.23791 6.92648 10.0484 9.90168 9.32969 7.12972 numMergedOcc 0
11 mol 131 unq 3 iso 0 dist 8.9967 14.2635 8.50562 16.6923 13.7237 9.29384 10.0484 9.90168 9.32969 6.85062 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 8.70622 11.1891 5.60528 13.9833 6.77832 7.35824 14.4059 12.6314 12.5754 9.29945 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 8.70622 5.28649 5.5995 13.9833 6.77832 9.17364 14.4059 12.6314 10.0424 9.29945 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 5.87853 4.41466 7.11785 7.15963 5.6044 6.51749 14.1493 14.2254 13.8722 9.1374 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 5.87853 4.41466 7.11785 7.15963 5.6044 6.51749 6.73556 9.72611 5.93488 5.98885 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 5.87853 4.41466 7.11785 7.15963 5.6044 6.51749 5.49666 10.428 7.64267 9.15386 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 5.87853 4.41466 7.11785 11.5431 12.9468 7.20392 6.73556 9.72611 5.93488 9.09537 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 9.13011 6.22466 5.73306 10.943 6.43967 8.47347 4.57422 9.38004 4.46081 9.96154 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 9.639 7.32929 5.91727 6.73266 5.86489 6.85441 5.57112 11.5776 8.17229 7.10633 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 9.639 7.32929 5.91727 6.73266 5.86489 6.85441 12.1292 7.32294 5.74707 8.51516 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 8.35637 9.34602 7.39391 12.8024 6.35641 6.86945 13.4203 11.0831 5.25252 7.19638 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 8.68638 5.50333 7.21655 10.25 5.24812 6.14323 16.7663 13.6942 13.0621 9.17653 numMergedOcc 0
