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 7.36018 6.55811 5.43306 5.06358 8.17347 8.64915 6.14147 11.0167 7.32257 10.5747 numMergedOcc 0
2 mol 9 unq 1 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
3 mol 9 unq 1 iso 1 dist 8.17347 8.64915 5.43306 5.06358 7.36018 6.55811 10.5747 11.0167 7.32257 6.14147 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.70827 6.73939 15.0804 12.3067 9.12854 18.673 11.4989 18.2647 9.41441 19.2131 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 6.73939 8.70827 15.0804 11.4989 9.41441 18.2647 12.3067 18.673 9.12854 19.2131 numMergedOcc 0
6 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
7 mol 24 unq 1 iso 1 dist 8.75662 8.4051 9.62033 14.6259 9.44691 8.60554 15.5315 15.8209 7.29868 10.0952 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.60554 9.44691 9.62033 10.0952 7.29868 15.8209 14.6259 8.4051 8.75662 15.5315 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 9.44691 8.60554 9.62033 14.6259 8.75662 8.4051 10.0952 15.8209 7.29868 15.5315 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 6.16347 7.92503 12.7398 10.9391 7.45383 16.8925 10.6808 16.0183 8.6653 21.6105 numMergedOcc 0
11 mol 25 unq 0 iso 1 dist 7.92503 6.16347 12.7398 10.6808 8.6653 16.0183 10.9391 16.8925 7.45383 21.6105 numMergedOcc 0
12 mol 65 unq 0 iso 0 dist 6.72639 9.34791 5.56801 5.48814 6.76508 8.22785 14.4691 11.5413 7.90294 10.2941 numMergedOcc 0
13 mol 65 unq 0 iso 1 dist 9.34791 6.72639 5.56801 14.4691 7.90294 11.5413 5.48814 8.22785 6.76508 10.2941 numMergedOcc 0
14 mol 65 unq 1 iso 0 dist 6.76508 8.22785 5.56801 5.48814 6.72639 9.34791 10.2941 11.5413 7.90294 14.4691 numMergedOcc 0
15 mol 65 unq 1 iso 1 dist 8.22785 6.76508 5.56801 10.2941 7.90294 11.5413 5.48814 9.34791 6.72639 14.4691 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 8.18107 5.9465 9.38827 5.04493 9.8859 6.97962 9.35561 16.0825 9.95342 12.7769 numMergedOcc 0
17 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
18 mol 92 unq 1 iso 0 dist 9.8859 6.97962 9.38827 5.04493 8.18107 5.9465 12.7769 16.0825 9.95342 9.35561 numMergedOcc 0
19 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
20 mol 125 unq 0 iso 0 dist 8.76789 9.08382 4.38093 5.20403 7.73435 9.3778 9.34412 11.1764 7.47069 11.8325 numMergedOcc 0
21 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
22 mol 125 unq 1 iso 0 dist 7.73435 9.3778 4.38093 5.20403 8.76789 9.08382 11.8325 11.1764 7.47069 9.34412 numMergedOcc 0
23 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
24 mol 156 unq 0 iso 0 dist 9.44367 9.47433 16.7026 5.56175 7.90267 14.7758 5.76755 13.5699 6.30021 11.1775 numMergedOcc 0
25 mol 156 unq 0 iso 1 dist 9.47433 9.44367 16.7026 5.76755 6.30021 13.5699 5.56175 14.7758 7.90267 11.1775 numMergedOcc 0
26 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
27 mol 171 unq 0 iso 1 dist 8.1344 5.93786 3.98338 7.31409 6.71356 8.24693 4.91149 9.85653 6.64834 11.6409 numMergedOcc 0
28 mol 171 unq 1 iso 0 dist 5.93786 8.1344 3.98338 8.07119 7.36698 11.3469 7.31409 8.24693 6.71356 14.1033 numMergedOcc 0
29 mol 171 unq 1 iso 1 dist 8.1344 5.93786 3.98338 7.31409 6.71356 8.24693 8.07119 11.3469 7.36698 14.1033 numMergedOcc 0
30 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
31 mol 171 unq 2 iso 1 dist 6.71356 8.24693 3.98338 7.31409 8.1344 5.93786 11.6409 9.85653 6.64834 4.91149 numMergedOcc 0
32 mol 171 unq 3 iso 0 dist 8.24693 6.71356 3.98338 14.1033 7.36698 11.3469 7.31409 5.93786 8.1344 8.07119 numMergedOcc 0
33 mol 171 unq 3 iso 1 dist 6.71356 8.24693 3.98338 7.31409 8.1344 5.93786 14.1033 11.3469 7.36698 8.07119 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 6.21292 6.95126 10.2834 8.31875 6.36341 13.9626 9.89669 16.0017 9.55668 16.6268 numMergedOcc 0
35 mol 235 unq 0 iso 1 dist 6.95126 6.21292 10.2834 9.89669 9.55668 16.0017 8.31875 13.9626 6.36341 16.6268 numMergedOcc 0
36 mol 235 unq 1 iso 0 dist 6.21292 6.95126 10.2834 4.53064 9.21736 10.076 9.89669 16.0017 9.55668 9.85037 numMergedOcc 0
37 mol 235 unq 1 iso 1 dist 6.95126 6.21292 10.2834 9.89669 9.55668 16.0017 4.53064 10.076 9.21736 9.85037 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 10.501 7.46394 10.672 11.3308 15.461 8.52587 10.5186 numMergedOcc 0
39 mol 274 unq 0 iso 1 dist 6.39866 9.45514 10.7637 11.3308 8.52587 15.461 10.501 10.672 7.46394 10.5186 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 11.7196 8.91672 16.422 11.3308 15.461 8.52587 21.506 numMergedOcc 0
41 mol 274 unq 1 iso 1 dist 6.39866 9.45514 10.7637 11.3308 8.52587 15.461 11.7196 16.422 8.91672 21.506 numMergedOcc 0
42 mol 274 unq 2 iso 0 dist 9.45514 6.39866 10.7637 6.828 7.1729 10.6913 11.3308 15.461 8.52587 12.384 numMergedOcc 0
43 mol 274 unq 2 iso 1 dist 6.39866 9.45514 10.7637 11.3308 8.52587 15.461 6.828 10.6913 7.1729 12.384 numMergedOcc 0
