0 mol 9 unq 0 iso 0 dist 9.87449 8.64915 10.9409 8.17347 8.50857 5.43306 10.5747 17.2884 7.32257 11.0167 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.87449 8.64915 10.9409 8.17347 8.50857 5.43306 5.06358 12.9221 6.55811 7.36018 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.87449 8.64915 10.9409 7.83133 6.89307 11.3401 10.5747 17.2884 7.32257 15.8978 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 9.87449 8.64915 10.9409 7.83133 6.89307 11.3401 5.06358 12.9221 6.55811 10.2602 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 9.87449 8.17347 8.50857 8.64915 10.9409 5.43306 5.06358 12.9221 7.36018 6.55811 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 9.87449 8.17347 8.50857 7.83133 6.89307 6.8386 5.06358 12.9221 7.36018 10.2602 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.75144 7.29868 13.719 7.33768 5.90981 10.2653 15.5315 20.8959 8.4051 16.8439 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 9.75144 7.29868 13.719 7.33768 5.90981 10.2653 10.0952 12.4274 8.60554 12.9284 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.75144 7.29868 13.719 9.01567 13.2265 6.16544 15.5315 20.8959 8.4051 9.83002 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 9.75144 7.29868 13.719 9.01567 13.2265 6.16544 10.0952 12.4274 8.60554 13.4393 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 7.75343 8.30845 10.0891 8.76378 4.44538 13.3504 5.88134 6.58204 7.01812 10.0635 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.66168 7.90048 6.08911 9.99802 11.562 12.2217 10.5137 9.87631 8.78276 19.1674 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 7.66168 7.90048 6.08911 9.99802 11.562 12.2217 7.01619 6.79146 7.88805 15.7868 numMergedOcc 0
13 mol 130 unq 2 iso 0 dist 7.66168 7.90048 6.08911 9.99802 11.562 12.2217 10.7116 13.0127 7.96646 17.6058 numMergedOcc 0
14 mol 130 unq 3 iso 0 dist 9.12581 7.90048 10.0581 9.99802 7.20197 12.2217 10.5137 15.6073 8.78276 19.1674 numMergedOcc 0
15 mol 130 unq 4 iso 0 dist 9.12581 7.90048 10.0581 9.99802 7.20197 12.2217 7.01619 11.9081 7.88805 15.7868 numMergedOcc 0
16 mol 130 unq 5 iso 0 dist 9.12581 7.90048 10.0581 9.99802 7.20197 12.2217 10.7116 17.1695 7.96646 17.6058 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 9.36805 9.44367 10.143 9.47433 10.0003 16.7026 5.56175 13.1853 7.90267 14.7758 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 9.36805 9.47433 10.0003 9.44367 10.143 16.7026 5.76755 8.47155 6.30021 13.5699 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 7.20046 7.99195 4.69841 9.72611 9.87435 12.1167 8.88798 10.2276 6.2479 14.2254 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 7.20046 7.99195 4.69841 9.72611 9.87435 12.1167 12.6324 10.3493 6.22122 14.6449 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 7.13543 7.99195 7.23063 9.72611 14.6648 12.1167 8.88798 10.7636 6.2479 14.2254 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 7.13543 7.99195 7.23063 9.72611 14.6648 12.1167 12.6324 13.1996 6.22122 14.6449 numMergedOcc 0
23 mol 181 unq 4 iso 0 dist 6.93764 6.41453 6.05477 5.9176 5.60306 9.53592 8.85576 11.4148 9.39829 10.4943 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 6.0965 7.73322 10.5013 7.37798 6.17282 13.2902 5.45334 11.5105 8.14332 11.8877 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 9.59129 7.73322 9.93085 7.37798 12.1116 13.2902 5.45334 13.8919 8.14332 11.8877 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 5.65339 6.21292 7.96337 6.95126 4.29892 10.2834 8.31875 10.4621 6.36341 13.9626 numMergedOcc 0
27 mol 235 unq 1 iso 0 dist 5.65339 6.21292 7.96337 6.95126 4.29892 10.2834 4.53064 9.96742 9.21736 10.076 numMergedOcc 0
28 mol 235 unq 2 iso 0 dist 5.65339 6.95126 4.29892 6.21292 7.96337 10.2834 9.89669 10.7117 9.55668 16.0017 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.90142 7.57812 10.3147 8.69104 15.6823 6.25098 10.0191 10.7386 9.24557 12.9364 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 6.39866 4.60275 10.7637 10.501 14.4703 7.46394 10.672 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 9.19234 9.45514 12.625 6.39866 4.60275 10.7637 11.7196 17.725 8.91672 16.422 numMergedOcc 0
32 mol 274 unq 2 iso 0 dist 9.19234 9.45514 12.625 6.39866 4.60275 10.7637 6.828 14.3124 7.1729 10.6913 numMergedOcc 0
33 mol 274 unq 3 iso 0 dist 9.19234 6.39866 4.60275 9.45514 12.625 10.7637 11.3308 12.5979 8.52587 15.461 numMergedOcc 0
