0 mol 18 unq 0 iso 0 dist 8.51213 8.35401 13.06 5.34733 5.65084 11.0988 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.80849 6.74914 4.79736 6.08283 8.09311 7.77964 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.80849 6.74914 4.79736 6.99919 9.05357 12.1034 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.16494 5.51172 4.55481 4.71262 7.18022 7.01952 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.16494 5.51172 4.55481 4.28439 6.24711 4.58552 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 9.70612 6.12374 10.622 8.46463 9.19165 12.0794 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.99509 7.86479 11.2061 11.0512 6.66407 16.4304 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.51543 8.18572 5.31985 5.4968 6.72869 9.59729 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.32453 8.25047 6.77898 5.22 9.6952 11.8245 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 7.79726 8.52697 5.09159 3.89377 9.76379 8.64934 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 7.79726 9.66612 3.73197 3.89377 9.76379 11.1204 numMergedOcc 0
11 mol 89 unq 0 iso 0 dist 5.25504 5.65453 6.13636 5.72671 5.51831 8.05579 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 6.5258 5.80831 9.05551 4.03471 4.22363 6.96745 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 5.11612 6.17349 4.48636 3.85674 6.24825 9.0534 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 5.11612 9.21978 6.63111 3.85674 6.24825 7.65564 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 5.22628 9.26505 6.95773 3.82475 6.39384 7.65564 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 7.55822 5.93365 3.87365 8.3164 8.28795 10.1658 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 6.76166 9.13631 11.5407 9.88169 9.00918 9.54071 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 6.76166 9.13631 11.5407 11.8593 7.99477 13.1518 numMergedOcc 0
19 mol 146 unq 0 iso 0 dist 7.24965 6.76896 8.33152 3.75935 9.04757 7.78784 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 7.14849 5.4647 6.42973 3.95924 9.11204 9.32938 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.16369 9.22792 13.6489 14.8867 8.73533 19.6457 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 8.16369 7.85696 12.4503 14.8867 8.73533 20.1352 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 8.16369 5.00402 11.5563 14.8867 8.73533 18.9351 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 8.16369 6.17773 10.3727 14.8867 8.73533 18.8172 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 8.9413 6.39499 3.95629 14.075 7.81215 11.2575 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 8.79626 9.20504 4.5022 9.92254 5.1823 9.34195 numMergedOcc 0
27 mol 235 unq 1 iso 0 dist 8.79626 9.20504 4.5022 5.66713 5.70635 8.85214 numMergedOcc 0
28 mol 235 unq 2 iso 0 dist 8.79626 6.15704 4.21867 9.92254 5.1823 6.03081 numMergedOcc 0
29 mol 235 unq 3 iso 0 dist 8.79626 6.15704 4.21867 5.66713 5.70635 5.1874 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 8.69557 8.8602 5.71505 4.02386 7.10671 8.20943 numMergedOcc 0
31 mol 243 unq 1 iso 0 dist 8.69557 8.8602 5.71505 8.36019 8.67156 12.9457 numMergedOcc 0
32 mol 243 unq 2 iso 0 dist 4.89168 9.49016 5.71505 6.41173 7.10671 8.20943 numMergedOcc 0
33 mol 243 unq 3 iso 0 dist 4.89168 9.49016 5.71505 5.7044 8.67156 12.9457 numMergedOcc 0
34 mol 243 unq 4 iso 0 dist 4.89168 8.92798 4.81639 6.41173 7.10671 11.5417 numMergedOcc 0
35 mol 243 unq 5 iso 0 dist 4.89168 8.92798 4.81639 5.7044 8.67156 13.3088 numMergedOcc 0
