0 mol 9 unq 0 iso 0 dist 8.72522 9.56646 11.4502 16.5569 8.57077 17.2374 11.0121 6.85412 15.7249 8.27962 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.72522 9.56646 11.4502 16.5569 8.57077 17.2374 6.35665 6.33889 10.6397 11.4878 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.13365 8.12171 6.66749 10.5449 6.86014 9.41441 10.7829 9.75144 13.2857 5.39241 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.47617 9.9451 13.5667 15.1595 8.80331 21.0357 10.7814 9.83618 20.2082 10.4442 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.47617 9.9451 13.5667 8.14351 6.20293 14.0799 10.7814 9.83618 20.2082 9.49077 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.13476 6.54052 4.29856 13.1047 9.5589 10.6808 6.2425 5.02241 6.30987 6.91765 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 6.13476 6.54052 4.29856 10.0565 6.83299 6.14538 6.2425 5.02241 6.30987 5.06052 numMergedOcc 0
7 mol 54 unq 2 iso 0 dist 6.13476 6.54052 4.29856 5.77448 8.10861 10.4158 6.2425 5.02241 6.30987 10.1332 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.22628 9.19273 6.40494 10.0419 9.33865 12.125 9.16391 9.66954 14.9181 6.09023 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.22628 9.19273 6.40494 10.0419 9.33865 12.125 5.26498 7.64585 7.52142 10.2377 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 5.22628 9.19273 6.40494 6.8104 6.11741 12.2743 9.16391 9.66954 14.9181 4.61908 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 5.22628 9.19273 6.40494 6.8104 6.11741 12.2743 5.26498 7.64585 7.52142 10.8939 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.94909 9.68996 17.3514 8.76089 7.11802 13.416 11.1266 7.92688 16.7175 4.68409 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.94909 9.68996 17.3514 6.80087 8.00618 11.8524 11.1266 7.92688 16.7175 12.2037 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.50454 5.87853 6.29863 11.755 7.63312 11.9764 10.9336 6.93764 9.93639 4.80231 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 7.15963 5.87853 5.6044 14.1493 9.1374 14.2254 9.09192 6.94688 10.3766 6.25083 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 7.15963 5.87853 5.6044 14.1493 9.1374 14.2254 12.1848 6.71012 10.7723 4.77278 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 7.15963 5.87853 5.6044 6.73556 5.98885 9.72611 9.09192 6.94688 10.3766 5.86342 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 7.15963 5.87853 5.6044 6.73556 5.98885 9.72611 12.1848 6.71012 10.7723 9.14057 numMergedOcc 0
19 mol 181 unq 5 iso 0 dist 7.15963 5.87853 5.6044 5.49666 9.15386 10.428 9.09192 6.94688 10.3766 6.80228 numMergedOcc 0
20 mol 181 unq 6 iso 0 dist 7.15963 5.87853 5.6044 5.49666 9.15386 10.428 12.1848 6.71012 10.7723 11.6919 numMergedOcc 0
21 mol 181 unq 7 iso 0 dist 6.43406 9.0234 7.77758 10.9813 7.81386 5.94469 4.56814 4.93785 7.05653 6.7991 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 6.73266 9.639 5.86489 5.57112 7.10633 11.5776 6.67807 5.90931 11.641 5.09262 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 6.73266 9.639 5.86489 12.1292 8.51516 7.32294 6.67807 5.90931 11.641 12.9483 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 4.91961 9.33455 10.0059 11.5103 9.45496 17.6227 12.2893 9.5707 7.43663 15.9563 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 4.91961 9.33455 10.0059 11.5103 9.45496 17.6227 11.1927 7.85175 10.0212 11.216 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 4.91961 9.33455 10.0059 4.98993 6.7625 12.6238 12.2893 9.5707 7.43663 14.4106 numMergedOcc 0
27 mol 234 unq 3 iso 0 dist 4.91961 9.33455 10.0059 4.98993 6.7625 12.6238 11.1927 7.85175 10.0212 11.4315 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 5.99137 7.87572 13.1168 13.7629 9.81562 19.6441 4.47231 5.34718 12.0937 11.8759 numMergedOcc 0
29 mol 236 unq 1 iso 0 dist 5.99137 7.87572 13.1168 13.3575 7.68742 20.1345 4.47231 5.34718 12.0937 11.3552 numMergedOcc 0
30 mol 236 unq 2 iso 0 dist 5.99137 7.87572 13.1168 5.03598 6.27581 9.89 4.47231 5.34718 12.0937 6.04825 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.64889 9.7625 7.70529 15.4648 9.7748 16.795 10.971 9.41725 14.3284 6.58374 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 7.12228 9.88071 6.6348 4.36798 6.33524 10.6906 7.00729 7.32347 6.8972 6.3384 numMergedOcc 0
