0 mol 24 unq 0 iso 0 dist 9.67696 11.9066 9.69752 11.3578 4.32034 6.60423 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.67696 11.9066 9.69752 16.7907 9.6469 7.83786 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.01238 16.9951 9.5053 17.1042 10.9837 8.44506 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.2958 8.88157 9.75201 7.63534 6.45686 7.27693 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.23534 7.28582 6.66954 7.63534 4.3931 4.79949 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 7.29701 3.74136 7.62611 10.4641 4.4022 9.81831 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 7.29701 3.74136 7.62611 11.1217 8.96224 9.12858 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 7.29701 3.74136 7.62611 9.10877 10.3849 9.4523 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 6.34031 13.478 9.5669 13.8338 9.75737 7.12017 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.82036 8.69165 6.76575 13.3377 7.20706 8.67766 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 8.82036 8.69165 6.76575 13.6905 5.35728 8.0831 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 8.19198 5.25155 6.03352 13.8792 8.2619 8.93905 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 8.65287 4.91324 6.95405 13.0881 6.75397 9.28592 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.9967 5.82527 5.56627 12.1672 7.7567 8.86329 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 8.9967 5.82527 5.56627 13.952 8.23791 8.71039 numMergedOcc 0
15 mol 131 unq 2 iso 0 dist 8.9967 14.2635 8.50562 18.2462 9.60968 9.15431 numMergedOcc 0
16 mol 131 unq 3 iso 0 dist 8.9967 14.2635 8.50562 13.952 8.23791 6.92648 numMergedOcc 0
17 mol 131 unq 4 iso 0 dist 8.9967 14.2635 8.50562 16.6923 13.7237 9.29384 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 6.6094 5.78019 7.25644 10.823 11.1681 5.49226 numMergedOcc 0
19 mol 147 unq 1 iso 0 dist 6.6094 5.78019 7.25644 9.23551 5.50251 6.28351 numMergedOcc 0
20 mol 147 unq 2 iso 0 dist 9.70579 7.70253 7.25644 11.5623 11.1681 5.49226 numMergedOcc 0
21 mol 147 unq 3 iso 0 dist 9.70579 7.70253 7.25644 11.0807 5.50251 6.28351 numMergedOcc 0
22 mol 147 unq 4 iso 0 dist 8.514 9.29701 7.25644 14.7633 11.1681 5.49226 numMergedOcc 0
23 mol 147 unq 5 iso 0 dist 8.514 9.29701 7.25644 12.6921 5.50251 6.28351 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 8.70622 11.1891 5.60528 13.9833 6.77832 7.35824 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 8.70622 5.28649 5.5995 13.9833 6.77832 9.17364 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 5.87853 4.41466 7.11785 7.15963 5.6044 6.51749 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 5.87853 4.41466 7.11785 11.5431 12.9468 7.20392 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.77211 7.74227 7.02575 17.566 14.4429 9.83476 numMergedOcc 0
29 mol 188 unq 0 iso 0 dist 9.13011 6.22466 5.73306 10.943 6.43967 8.47347 numMergedOcc 0
30 mol 196 unq 0 iso 0 dist 7.5257 3.93821 8.57986 9.56728 8.61276 8.20691 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 9.639 7.32929 5.91727 6.73266 5.86489 6.85441 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 8.00354 9.53753 8.20162 13.1899 7.17211 6.6561 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 9.61914 5.79235 5.0804 12.7988 5.05321 8.67805 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 8.35637 9.34602 7.39391 12.8024 6.35641 6.86945 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 8.68638 5.50333 7.21655 10.5026 6.26382 6.04162 numMergedOcc 0
36 mol 264 unq 1 iso 0 dist 8.68638 5.50333 7.21655 10.25 5.24812 6.14323 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 9.7625 7.05559 7.85414 11.1337 6.28695 6.57903 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 9.7625 7.05559 7.85414 13.6164 4.39413 9.65707 numMergedOcc 0
