0 mol 9 unq 0 iso 0 dist 6.55811 7.36018 5.43306 6.14147 7.32257 11.0167 5.06358 8.64915 8.17347 10.5747 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 6.55811 7.36018 5.43306 5.06358 8.64915 8.17347 6.14147 7.32257 11.0167 10.5747 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.55811 8.48677 6.17866 6.14147 7.32257 10.0547 5.06358 8.64915 11.3467 10.5747 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 6.55811 8.48677 6.17866 5.06358 8.64915 11.3467 6.14147 7.32257 10.0547 10.5747 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 8.64915 8.17347 5.43306 10.5747 7.32257 11.0167 5.06358 6.55811 7.36018 6.14147 numMergedOcc 0
5 mol 9 unq 2 iso 1 dist 8.64915 8.17347 5.43306 5.06358 6.55811 7.36018 10.5747 7.32257 11.0167 6.14147 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 8.64915 7.83133 11.3401 10.5747 7.32257 15.8978 5.06358 6.55811 10.2602 6.14147 numMergedOcc 0
7 mol 9 unq 3 iso 1 dist 8.64915 7.83133 11.3401 5.06358 6.55811 10.2602 10.5747 7.32257 15.8978 6.14147 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 8.4051 8.23446 14.1082 15.5315 7.29868 20.9738 14.6259 8.60554 17.6854 10.0952 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 8.4051 8.23446 14.1082 14.6259 8.60554 17.6854 15.5315 7.29868 20.9738 10.0952 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.4051 8.75662 9.62033 15.5315 7.29868 15.8209 14.6259 8.60554 9.44691 10.0952 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 8.4051 8.75662 9.62033 14.6259 8.60554 9.44691 15.5315 7.29868 15.8209 10.0952 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 7.29868 7.33768 10.2653 15.5315 8.4051 16.8439 10.0952 8.60554 12.9284 14.6259 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 7.29868 7.33768 10.2653 10.0952 8.60554 12.9284 15.5315 8.4051 16.8439 14.6259 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 7.29868 9.01567 6.16544 15.5315 8.4051 9.83002 10.0952 8.60554 13.4393 14.6259 numMergedOcc 0
15 mol 24 unq 3 iso 1 dist 7.29868 9.01567 6.16544 10.0952 8.60554 13.4393 15.5315 8.4051 9.83002 14.6259 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 8.60554 8.44664 14.1496 14.6259 8.4051 17.8725 10.0952 7.29868 16.1126 15.5315 numMergedOcc 0
17 mol 24 unq 4 iso 1 dist 8.60554 8.44664 14.1496 10.0952 7.29868 16.1126 14.6259 8.4051 17.8725 15.5315 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 8.60554 9.44691 9.62033 14.6259 8.4051 8.75662 10.0952 7.29868 15.8209 15.5315 numMergedOcc 0
19 mol 24 unq 5 iso 1 dist 8.60554 9.44691 9.62033 10.0952 7.29868 15.8209 14.6259 8.4051 8.75662 15.5315 numMergedOcc 0
20 mol 65 unq 0 iso 0 dist 9.34791 6.72639 5.56801 14.4691 7.90294 11.5413 5.48814 8.22785 6.76508 10.2941 numMergedOcc 0
21 mol 65 unq 0 iso 1 dist 9.34791 6.72639 5.56801 5.48814 8.22785 6.76508 14.4691 7.90294 11.5413 10.2941 numMergedOcc 0
22 mol 65 unq 1 iso 0 dist 8.22785 6.76508 5.56801 10.2941 7.90294 11.5413 5.48814 9.34791 6.72639 14.4691 numMergedOcc 0
23 mol 65 unq 1 iso 1 dist 8.22785 6.76508 5.56801 5.48814 9.34791 6.72639 10.2941 7.90294 11.5413 14.4691 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 5.9465 8.18107 9.38827 5.04493 6.97962 9.8859 9.35561 9.95342 16.0825 12.7769 numMergedOcc 0
25 mol 92 unq 0 iso 1 dist 5.9465 8.18107 9.38827 9.35561 9.95342 16.0825 5.04493 6.97962 9.8859 12.7769 numMergedOcc 0
26 mol 92 unq 1 iso 0 dist 6.97962 9.8859 9.38827 5.04493 5.9465 8.18107 12.7769 9.95342 16.0825 9.35561 numMergedOcc 0
27 mol 92 unq 1 iso 1 dist 6.97962 9.8859 9.38827 12.7769 9.95342 16.0825 5.04493 5.9465 8.18107 9.35561 numMergedOcc 0
28 mol 125 unq 0 iso 0 dist 9.08382 8.76789 4.38093 5.20403 9.3778 7.73435 9.34412 7.47069 11.1764 11.8325 numMergedOcc 0
29 mol 125 unq 0 iso 1 dist 9.08382 8.76789 4.38093 9.34412 7.47069 11.1764 5.20403 9.3778 7.73435 11.8325 numMergedOcc 0
30 mol 125 unq 1 iso 0 dist 9.3778 7.73435 4.38093 5.20403 9.08382 8.76789 11.8325 7.47069 11.1764 9.34412 numMergedOcc 0
31 mol 125 unq 1 iso 1 dist 9.3778 7.73435 4.38093 11.8325 7.47069 11.1764 5.20403 9.08382 8.76789 9.34412 numMergedOcc 0
32 mol 130 unq 0 iso 0 dist 7.90048 9.99802 12.2217 10.5137 8.78276 19.1674 7.01619 7.88805 15.7868 4.5207 numMergedOcc 0
33 mol 130 unq 0 iso 1 dist 7.90048 9.99802 12.2217 7.01619 7.88805 15.7868 10.5137 8.78276 19.1674 4.5207 numMergedOcc 0
34 mol 130 unq 1 iso 0 dist 7.90048 9.99802 12.2217 10.5137 8.78276 19.1674 10.7116 7.96646 17.6058 8.38345 numMergedOcc 0
35 mol 130 unq 1 iso 1 dist 7.90048 9.99802 12.2217 10.7116 7.96646 17.6058 10.5137 8.78276 19.1674 8.38345 numMergedOcc 0
36 mol 130 unq 1 iso 0 dist 7.90048 9.99802 12.2217 7.01619 7.88805 15.7868 10.7116 7.96646 17.6058 10.0969 numMergedOcc 0
37 mol 130 unq 1 iso 1 dist 7.90048 9.99802 12.2217 10.7116 7.96646 17.6058 7.01619 7.88805 15.7868 10.0969 numMergedOcc 0
38 mol 171 unq 0 iso 0 dist 5.93786 8.1344 3.98338 4.91149 6.64834 9.85653 7.31409 8.24693 6.71356 11.6409 numMergedOcc 0
39 mol 171 unq 0 iso 1 dist 5.93786 8.1344 3.98338 7.31409 8.24693 6.71356 4.91149 6.64834 9.85653 11.6409 numMergedOcc 0
40 mol 171 unq 1 iso 0 dist 5.93786 8.1344 3.98338 4.91149 6.64834 9.85653 8.07119 7.36698 11.3469 5.51687 numMergedOcc 0
41 mol 171 unq 1 iso 1 dist 5.93786 8.1344 3.98338 8.07119 7.36698 11.3469 4.91149 6.64834 9.85653 5.51687 numMergedOcc 0
42 mol 171 unq 1 iso 0 dist 5.93786 8.1344 3.98338 7.31409 8.24693 6.71356 8.07119 7.36698 11.3469 14.1033 numMergedOcc 0
43 mol 171 unq 1 iso 1 dist 5.93786 8.1344 3.98338 8.07119 7.36698 11.3469 7.31409 8.24693 6.71356 14.1033 numMergedOcc 0
44 mol 171 unq 2 iso 0 dist 8.24693 6.71356 3.98338 11.6409 6.64834 9.85653 7.31409 5.93786 8.1344 4.91149 numMergedOcc 0
45 mol 171 unq 2 iso 1 dist 8.24693 6.71356 3.98338 7.31409 5.93786 8.1344 11.6409 6.64834 9.85653 4.91149 numMergedOcc 0
46 mol 171 unq 3 iso 0 dist 8.24693 6.71356 3.98338 11.6409 6.64834 9.85653 14.1033 7.36698 11.3469 5.51687 numMergedOcc 0
47 mol 171 unq 3 iso 1 dist 8.24693 6.71356 3.98338 14.1033 7.36698 11.3469 11.6409 6.64834 9.85653 5.51687 numMergedOcc 0
48 mol 171 unq 3 iso 0 dist 8.24693 6.71356 3.98338 7.31409 5.93786 8.1344 14.1033 7.36698 11.3469 8.07119 numMergedOcc 0
49 mol 171 unq 3 iso 1 dist 8.24693 6.71356 3.98338 14.1033 7.36698 11.3469 7.31409 5.93786 8.1344 8.07119 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 7.99195 9.72611 12.1167 8.88798 6.2479 14.2254 12.6324 6.22122 14.6449 6.01247 numMergedOcc 0
51 mol 181 unq 0 iso 1 dist 7.99195 9.72611 12.1167 12.6324 6.22122 14.6449 8.88798 6.2479 14.2254 6.01247 numMergedOcc 0
52 mol 235 unq 0 iso 0 dist 6.21292 6.95126 10.2834 8.31875 6.36341 13.9626 4.53064 9.21736 10.076 10.5547 numMergedOcc 0
53 mol 235 unq 0 iso 1 dist 6.21292 6.95126 10.2834 4.53064 9.21736 10.076 8.31875 6.36341 13.9626 10.5547 numMergedOcc 0
54 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 10.501 7.46394 10.672 11.7196 8.91672 16.422 14.3919 numMergedOcc 0
55 mol 274 unq 0 iso 1 dist 9.45514 6.39866 10.7637 11.7196 8.91672 16.422 10.501 7.46394 10.672 14.3919 numMergedOcc 0
56 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 10.501 7.46394 10.672 6.828 7.1729 10.6913 6.15918 numMergedOcc 0
57 mol 274 unq 1 iso 1 dist 9.45514 6.39866 10.7637 6.828 7.1729 10.6913 10.501 7.46394 10.672 6.15918 numMergedOcc 0
58 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 11.7196 8.91672 16.422 6.828 7.1729 10.6913 10.0083 numMergedOcc 0
59 mol 274 unq 1 iso 1 dist 9.45514 6.39866 10.7637 6.828 7.1729 10.6913 11.7196 8.91672 16.422 10.0083 numMergedOcc 0
