0 mol 9 unq 0 iso 0 dist 9.3359 12.3762 7.84963 17.4263 8.59513 13.0985 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.76233 4.54527 9.07476 13.4378 9.81983 9.36527 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.1717 5.56678 6.35779 9.49599 8.21895 7.46975 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.45955 4.76152 7.94132 9.60691 8.99536 5.99968 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 6.45955 4.76152 7.94132 6.20826 5.94317 3.96462 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 9.75749 7.81683 9.94528 15.6669 8.99451 10.4266 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 9.75749 11.1731 8.94777 15.6669 8.99451 7.34738 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 9.75749 7.95491 9.47551 15.6669 8.99451 15.2006 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.98861 4.93451 6.10053 9.37937 8.61893 6.66441 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 5.52904 5.41685 6.10053 7.6026 8.61893 6.66441 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.27028 16.1275 7.08403 7.73772 9.62952 15.3457 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 6.66313 7.36057 8.42225 10.2818 6.21165 12.2067 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 6.3646 11.1403 8.42225 10.6827 6.21165 12.2067 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.91021 4.452 7.93106 13.6412 8.98175 9.8725 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 9.91021 11.0787 7.04904 13.6412 8.98175 7.03404 numMergedOcc 0
15 mol 129 unq 2 iso 0 dist 5.5917 5.47042 7.93106 6.48813 8.98175 9.8725 numMergedOcc 0
16 mol 129 unq 3 iso 0 dist 5.5917 4.02665 7.04904 6.48813 8.98175 7.03404 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 5.55632 7.0408 8.26128 6.71173 8.90588 10.3128 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 9.3206 13.9828 7.50458 7.21295 7.85698 8.92988 numMergedOcc 0
19 mol 169 unq 1 iso 0 dist 9.3206 13.9828 7.50458 6.08318 6.35799 10.711 numMergedOcc 0
20 mol 169 unq 2 iso 0 dist 6.18165 9.58263 7.78577 15.414 9.84538 15.222 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.19926 11.641 9.14525 6.73937 9.31569 6.24225 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 8.19926 11.641 9.14525 15.8935 8.72743 10.7353 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.95095 12.7366 9.60767 5.0607 7.08328 7.82775 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 8.78416 6.85714 6.82918 13.7467 6.18742 10.5882 numMergedOcc 0
25 mol 281 unq 1 iso 0 dist 9.22428 16.6962 9.13909 13.7467 6.8089 13.2757 numMergedOcc 0
26 mol 281 unq 2 iso 0 dist 9.22428 6.85714 4.29351 13.7467 6.8089 10.5882 numMergedOcc 0
27 mol 281 unq 3 iso 0 dist 7.82358 12.3603 6.82918 12.8593 6.18742 10.5882 numMergedOcc 0
28 mol 281 unq 4 iso 0 dist 7.95687 9.0331 9.13909 13.7172 6.8089 13.2757 numMergedOcc 0
29 mol 281 unq 5 iso 0 dist 7.95687 5.28494 4.29351 13.7172 6.8089 10.5882 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 7.96707 9.99556 8.71974 16.0629 9.23152 9.60695 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 7.96707 7.99722 8.82649 16.0629 9.23152 16.0897 numMergedOcc 0
32 mol 287 unq 2 iso 0 dist 7.96707 12.9629 7.35776 16.0629 9.23152 12.1974 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 7.96707 9.99556 8.71974 16.0629 9.23152 9.60695 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 7.96707 7.99722 8.82649 16.0629 9.23152 16.0897 numMergedOcc 0
35 mol 288 unq 2 iso 0 dist 7.96707 12.9629 7.35776 16.0629 9.23152 12.1974 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 7.96707 9.99556 8.71974 16.0629 9.23152 9.60695 numMergedOcc 0
37 mol 289 unq 1 iso 0 dist 7.96707 7.99722 8.82649 16.0629 9.23152 16.0897 numMergedOcc 0
38 mol 289 unq 2 iso 0 dist 7.96707 12.9629 7.35776 16.0629 9.23152 12.1974 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 4.97488 10.841 8.85506 4.59906 5.91617 7.1944 numMergedOcc 0
40 mol 292 unq 1 iso 0 dist 8.80146 10.3918 8.85506 5.59939 5.91617 7.1944 numMergedOcc 0
