0 mol 30 unq 0 iso 0 dist 6.30807 5.8083 7.45133 4.38332 8.51496 4.96793 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.61209 4.10983 9.39738 4.31691 6.66861 5.99401 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 5.7638 5.21228 9.39738 6.96815 6.66861 5.99401 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 8.55679 5.21228 9.9421 6.96815 6.72084 5.99401 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 9.04648 15.069 7.88704 9.64796 5.91009 5.97632 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 9.04648 5.04995 9.54782 9.64796 5.91009 11.351 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 5.59846 4.05003 6.26491 4.20309 6.85867 6.60008 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 8.52947 8.7353 8.55124 14.4934 7.4518 11.6667 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.52947 8.7353 8.55124 11.7807 9.1687 5.0847 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 8.84466 13.0411 8.55124 16.0131 7.4518 11.6667 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 8.84466 13.0411 8.55124 11.7408 9.1687 5.0847 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 8.28452 10.03 9.15172 5.58964 5.37302 11.6513 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 8.44004 3.97916 9.15172 12.297 5.37302 11.6513 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 7.99121 6.64473 5.87592 10.6956 6.66022 5.16645 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 9.99743 5.13558 4.93595 12.1363 9.51638 9.16343 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.94464 11.9871 7.04782 6.15536 9.07527 14.9846 numMergedOcc 0
16 mol 244 unq 0 iso 0 dist 7.00974 12.6177 8.19381 7.72205 5.79898 11.4169 numMergedOcc 0
17 mol 244 unq 1 iso 0 dist 7.00974 11.5282 8.93421 7.72205 5.79898 12.7764 numMergedOcc 0
18 mol 244 unq 2 iso 0 dist 7.00974 12.6014 7.35657 7.72205 5.79898 12.7037 numMergedOcc 0
19 mol 244 unq 3 iso 0 dist 7.00974 5.30507 6.19605 7.72205 5.79898 8.63792 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 8.72346 4.89475 6.14554 5.81946 6.18065 6.96883 numMergedOcc 0
21 mol 247 unq 1 iso 0 dist 7.39069 11.9901 6.14554 11.7687 6.18065 6.96883 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.62592 5.06393 6.41167 12.2121 8.63176 9.76914 numMergedOcc 0
