0 mol 11 unq 0 iso 0 dist 9.07476 9.36527 9.81983 9.46202 6.83186 6.51674 12.8782 7.16699 11.6776 5.40468 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.6586 12.1061 7.85986 10.3497 8.25818 9.63925 15.9745 14.3151 10.9641 7.61183 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 9.94528 10.4266 8.99451 5.31562 7.50925 8.98065 6.77845 4.48523 5.68212 5.13041 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 8.94777 7.34738 8.99451 8.56578 7.50925 8.98065 5.48555 4.48523 5.68212 5.13041 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 9.47551 15.2006 8.99451 7.14423 7.50925 8.98065 10.4604 4.48523 5.68212 5.13041 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 6.67863 5.08458 9.44645 9.54415 8.19144 13.0976 9.83562 6.43467 14.3413 8.2549 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.39028 9.74143 5.54226 3.98588 9.29327 11.1265 8.3565 5.38685 10.8943 9.87557 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 6.48066 6.62718 6.12453 3.56227 5.86767 8.8681 5.60956 3.60864 5.24076 5.64732 numMergedOcc 0
8 mol 168 unq 1 iso 0 dist 6.48066 6.62718 6.12453 3.96437 5.28353 3.73181 5.60956 3.60864 5.24076 5.52214 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 7.50458 8.92988 7.85698 4.24401 5.10589 6.28646 6.09291 10.1931 5.82321 6.27378 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 7.50458 10.711 6.35799 4.24401 5.10589 7.83748 6.09291 10.1931 9.47253 6.27378 numMergedOcc 0
11 mol 254 unq 0 iso 0 dist 7.89302 5.58669 9.31434 8.51317 9.20109 13.4911 14.0267 9.72134 17.7044 7.40957 numMergedOcc 0
12 mol 287 unq 0 iso 0 dist 7.84189 4.15763 8.58427 9.51119 4.68668 9.88575 12.7673 5.13698 12.6821 5.55176 numMergedOcc 0
13 mol 288 unq 0 iso 0 dist 7.84189 4.15763 8.58427 9.51119 4.68668 9.88575 12.7673 5.13698 12.6821 5.55176 numMergedOcc 0
14 mol 289 unq 0 iso 0 dist 7.84189 4.15763 8.58427 9.51119 4.68668 9.88575 12.7673 5.13698 12.6821 5.55176 numMergedOcc 0
