0 mol 11 unq 0 iso 0 dist 9.07476 9.36527 9.81983 9.46202 6.83186 6.51674 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.6586 12.1061 7.85986 10.3497 8.25818 9.63925 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 9.94528 10.4266 8.99451 5.31562 7.50925 8.98065 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 9.94528 10.4266 8.99451 9.24212 6.96722 13.9971 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 8.94777 7.34738 8.99451 8.56578 7.50925 8.98065 numMergedOcc 0
5 mol 83 unq 3 iso 0 dist 8.94777 7.34738 8.99451 12.1198 6.96722 13.9971 numMergedOcc 0
6 mol 83 unq 4 iso 0 dist 9.47551 15.2006 8.99451 7.14423 7.50925 8.98065 numMergedOcc 0
7 mol 83 unq 5 iso 0 dist 9.47551 15.2006 8.99451 3.76903 6.96722 13.9971 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.48163 4.00884 6.89071 6.87448 8.10623 9.18008 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 7.7399 4.1125 6.89071 12.6706 8.10623 9.18008 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 6.67863 5.08458 9.44645 9.54415 8.19144 13.0976 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 7.39028 9.74143 5.54226 9.3283 9.51764 5.5693 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 7.39028 9.74143 5.54226 3.98588 9.29327 11.1265 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.86767 9.01097 5.35711 5.96967 7.02358 3.52111 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 7.08403 15.3457 9.62952 3.77247 7.02358 14.7833 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 6.48066 6.62718 6.12453 3.56227 5.86767 8.8681 numMergedOcc 0
16 mol 168 unq 1 iso 0 dist 6.48066 6.62718 6.12453 3.96437 5.28353 3.73181 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 9.58901 9.12553 5.41121 5.74428 6.96715 3.83687 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 7.50458 8.92988 7.85698 4.24401 5.10589 6.28646 numMergedOcc 0
19 mol 169 unq 2 iso 0 dist 7.50458 10.711 6.35799 4.24401 5.10589 7.83748 numMergedOcc 0
20 mol 169 unq 3 iso 0 dist 7.78577 15.222 9.84538 3.69097 5.10589 14.1141 numMergedOcc 0
21 mol 169 unq 4 iso 0 dist 7.78577 15.222 9.84538 7.14832 4.63336 13.1539 numMergedOcc 0
22 mol 169 unq 5 iso 0 dist 7.78577 15.222 9.84538 8.01356 6.10715 11.6489 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 9.14525 6.24225 9.31569 13.1776 7.25595 9.73374 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 9.14525 6.24225 9.31569 4.10348 9.94825 7.47658 numMergedOcc 0
25 mol 186 unq 2 iso 0 dist 9.14525 10.7353 8.72743 13.1776 7.25595 14.2269 numMergedOcc 0
26 mol 186 unq 3 iso 0 dist 9.14525 10.7353 8.72743 4.10348 9.94825 9.76301 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 8.54126 9.74489 9.89191 8.96559 9.64861 16.2332 numMergedOcc 0
28 mol 232 unq 1 iso 0 dist 7.64079 16.2642 9.89191 6.09979 9.64861 16.2332 numMergedOcc 0
29 mol 254 unq 0 iso 0 dist 7.89302 5.58669 9.31434 5.81468 7.85841 11.0708 numMergedOcc 0
30 mol 254 unq 1 iso 0 dist 7.89302 5.58669 9.31434 8.51317 9.20109 13.4911 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 9.13909 13.2757 6.8089 9.85344 5.33372 10.3992 numMergedOcc 0
32 mol 281 unq 1 iso 0 dist 9.13909 13.2757 6.8089 9.11195 6.56886 11.7772 numMergedOcc 0
33 mol 281 unq 2 iso 0 dist 6.82918 10.5882 6.18742 13.5758 7.90368 3.78169 numMergedOcc 0
34 mol 281 unq 3 iso 0 dist 6.82918 10.5882 6.18742 7.74065 6.69267 11.7772 numMergedOcc 0
35 mol 281 unq 4 iso 0 dist 4.29351 10.5882 6.8089 3.50686 5.33372 10.3992 numMergedOcc 0
36 mol 281 unq 5 iso 0 dist 4.29351 10.5882 6.8089 7.74065 6.56886 11.7772 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 7.84189 4.15763 8.58427 9.51119 4.68668 9.88575 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 7.84189 4.15763 8.58427 9.51119 4.68668 9.88575 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 7.84189 4.15763 8.58427 9.51119 4.68668 9.88575 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 8.85506 7.1944 5.91617 12.2 8.07775 5.06937 numMergedOcc 0
