0 mol 5 unq 0 iso 0 dist 5.04052 7.0627 3.33561 8.59201 9.22027 7.56229 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.46284 7.62938 5.31713 4.07888 4.98321 8.87945 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 6.02824 5.58536 7.69482 9.20423 12.5949 5.70939 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 5.92285 6.42645 5.98227 8.56267 9.53846 7.16844 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.38687 6.42645 5.87787 8.56267 12.8316 7.16844 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 6.61587 6.72584 3.31218 9.40112 8.66111 5.35861 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 6.61587 7.25594 5.74818 9.40112 8.66111 8.61641 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 8.24464 6.72584 9.11262 9.40112 14.2815 5.35861 numMergedOcc 0
8 mol 83 unq 3 iso 0 dist 8.24464 7.25594 9.84043 9.40112 14.2815 8.61641 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 6.93938 7.87345 12.3755 3.50778 10.1168 5.92828 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 6.93938 7.87345 12.3755 9.07396 15.9962 9.1247 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 6.22696 4.80508 5.09517 5.65593 9.10671 9.44964 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 4.68544 8.1953 8.60565 14.7953 13.5403 7.0961 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 4.68544 8.1953 8.60565 9.96378 12.3879 8.21227 numMergedOcc 0
14 mol 168 unq 2 iso 0 dist 4.68544 8.1953 8.60565 6.11883 8.32353 6.53038 numMergedOcc 0
15 mol 168 unq 3 iso 0 dist 4.68544 8.16253 5.62227 14.7953 13.5403 8.26768 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 8.79644 8.80004 3.18152 14.4693 11.3821 8.6961 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 8.32647 6.30144 3.74437 6.97246 4.61596 5.23187 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 9.42723 6.49746 3.70259 5.9839 9.91727 7.04521 numMergedOcc 0
19 mol 198 unq 1 iso 0 dist 9.42723 5.8917 5.13258 5.9839 9.91727 8.85265 numMergedOcc 0
20 mol 198 unq 2 iso 0 dist 7.70823 9.70373 3.70259 12.5506 9.91727 7.04521 numMergedOcc 0
21 mol 198 unq 3 iso 0 dist 8.16611 9.76877 3.70259 10.8876 9.91727 7.04521 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 8.70011 7.81831 3.64285 6.3054 4.85332 6.50654 numMergedOcc 0
23 mol 233 unq 0 iso 0 dist 9.28828 9.63067 3.32222 6.50689 10.2395 8.4338 numMergedOcc 0
24 mol 270 unq 0 iso 0 dist 9.99229 7.47193 3.18542 4.5781 11.0896 9.67647 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 7.63933 6.94666 3.14843 10.8186 10.4537 7.73438 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 7.18462 8.26365 3.08474 10.2114 9.23612 9.21469 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 6.66342 8.26365 6.12546 10.2114 11.928 9.21469 numMergedOcc 0
