0 mol 48 unq 0 iso 0 dist 8.09058 9.17838 8.47849 4.84988 9.54797 10.9551 8.82805 9.56852 6.07052 12.8187 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 4.55117 8.80108 7.03126 14.0374 18.9163 9.02642 11.6859 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 5.64209 6.50297 13.3982 14.0374 18.9163 9.02642 18.8307 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 8.89374 8.96727 14.6599 12.7331 6.96494 20.5213 5.49591 9.11258 9.01564 13.4366 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 8.89374 8.96727 14.6599 7.05413 7.01363 15.7229 5.49591 9.11258 9.01564 8.88332 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 8.89374 8.01308 9.47022 12.7331 6.96494 16.0898 5.49591 9.11258 7.11065 13.4366 numMergedOcc 0
6 mol 58 unq 5 iso 0 dist 8.89374 8.01308 9.47022 7.05413 7.01363 12.8612 5.49591 9.11258 7.11065 8.88332 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 7.321 9.55118 6.74416 7.11552 9.19459 5.4605 11.6378 13.1462 7.58875 4.67641 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 7.321 9.55118 6.74416 7.17489 8.59747 6.7272 11.6378 13.1462 7.58875 7.04549 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.94837 9.00918 5.58312 5.9915 6.4218 5.73203 14.2198 6.93279 7.83568 12.2578 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 7.57216 6.2135 10.25 10.1386 9.40594 5.92302 14.4255 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.93652 8.07097 4.22522 7.57216 6.2135 10.25 7.42649 5.26989 5.29898 8.7258 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 6.3437 6.51096 13.5963 5.50031 13.3276 9.16358 10.1521 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 9.14392 8.97626 12.0485 6.3437 6.51096 13.5963 6.89781 9.0529 9.24038 7.6506 numMergedOcc 0
14 mol 155 unq 2 iso 0 dist 9.14392 8.97626 12.0485 9.99927 8.73171 14.7426 5.50031 13.3276 9.16358 11.1272 numMergedOcc 0
15 mol 155 unq 3 iso 0 dist 9.14392 8.97626 12.0485 9.99927 8.73171 14.7426 6.89781 9.0529 9.24038 6.00473 numMergedOcc 0
16 mol 155 unq 4 iso 0 dist 7.51198 8.97626 4.48516 8.27726 7.37901 5.36254 5.50031 9.80845 9.16358 5.50045 numMergedOcc 0
17 mol 155 unq 5 iso 0 dist 7.51198 8.97626 4.48516 8.27726 7.37901 5.36254 6.89781 7.55196 9.24038 6.40403 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 6.65984 8.79428 10.9705 7.12232 9.47554 10.8888 7.38836 13.7546 9.25617 11.1486 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 6.65984 8.79428 10.9705 7.12232 9.47554 10.8888 12.4832 17.8706 9.05276 14.4324 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 8.8709 6.152 11.5426 10.204 19.0662 9.18728 17.4655 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 9.62609 6.91318 11.5454 8.8709 6.152 11.5426 9.72615 14.0608 8.91971 9.75331 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 8.17891 5.23634 4.09934 13.3557 7.95168 11.5426 6.35849 12.2922 9.18728 17.4655 numMergedOcc 0
23 mol 227 unq 3 iso 0 dist 8.17891 5.23634 4.09934 13.3557 7.95168 11.5426 10.9607 7.57454 8.91971 9.75331 numMergedOcc 0
24 mol 227 unq 4 iso 0 dist 6.95902 6.91318 4.09934 8.8709 7.95168 11.5426 10.204 12.2922 9.18728 17.4655 numMergedOcc 0
25 mol 227 unq 5 iso 0 dist 6.95902 6.91318 4.09934 8.8709 7.95168 11.5426 9.72615 7.57454 8.91971 9.75331 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 5.56749 8.49841 9.11572 10.0059 7.43663 7.77911 7.17691 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 9.5707 7.81215 11.8229 12.1076 9.6101 7.20293 10.0059 7.43663 7.77911 4.51304 numMergedOcc 0
28 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 6.29366 5.32183 7.20293 5.08515 7.94068 7.77911 4.51304 numMergedOcc 0
29 mol 250 unq 0 iso 0 dist 8.80086 6.59244 6.0473 11.0402 7.88284 12.379 4.34713 12.6079 9.30531 15.0903 numMergedOcc 0
30 mol 250 unq 1 iso 0 dist 8.80086 6.59244 6.0473 7.26274 9.88279 11.304 4.34713 12.6079 9.30531 10.7989 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 6.50589 9.30212 15.0646 5.31116 8.49866 12.703 9.5468 12.6896 7.77765 12.625 numMergedOcc 0
32 mol 274 unq 1 iso 0 dist 6.50589 6.4611 5.70568 5.31116 8.49866 6.66172 9.5468 12.6896 9.65868 12.625 numMergedOcc 0
33 mol 274 unq 2 iso 0 dist 6.50589 6.4611 5.70568 5.31116 8.49866 6.66172 6.70925 11.838 8.60027 4.60275 numMergedOcc 0
