0 mol 54 unq 0 iso 0 dist 5.59179 6.25196 6.36332 6.11542 6.04354 9.70196 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 5.59179 8.88159 4.66088 6.11542 6.04354 9.25341 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 8.06502 6.09318 5.42987 10.8072 6.04611 10.8417 numMergedOcc 0
3 mol 86 unq 0 iso 0 dist 7.47462 8.20932 5.43042 8.02395 8.43217 12.3334 numMergedOcc 0
4 mol 86 unq 1 iso 0 dist 7.47462 9.81596 8.00343 8.02395 8.43217 11.918 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 5.37345 8.88177 10.1932 8.68687 9.79739 13.9005 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 9.57415 9.20977 4.88005 9.15324 8.08406 11.5671 numMergedOcc 0
7 mol 132 unq 1 iso 0 dist 9.57415 9.20977 4.88005 6.32317 5.73579 8.72039 numMergedOcc 0
8 mol 145 unq 0 iso 0 dist 9.82865 8.77502 3.57733 4.8733 9.03586 8.86719 numMergedOcc 0
9 mol 213 unq 0 iso 0 dist 9.4323 5.53162 8.39486 5.55822 9.00921 9.88124 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.10646 5.77947 6.13765 8.12353 6.64341 8.12934 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 7.10646 5.77947 6.13765 10.6332 7.31315 10.9575 numMergedOcc 0
12 mol 233 unq 0 iso 0 dist 8.25961 9.46821 13.7851 3.63541 7.44436 12.605 numMergedOcc 0
13 mol 241 unq 0 iso 0 dist 4.66398 5.42605 8.82095 5.06075 7.30582 9.12236 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 6.81635 6.77021 7.85663 3.89286 5.53473 5.9223 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 7.11605 8.71581 15.4342 4.35391 4.26671 12.0631 numMergedOcc 0
