0 mol 11 unq 0 iso 0 dist 9.09091 3.66215 9.81983 12.4305 9.74251 9.89425 5.25331 6.51674 6.83186 12.0683 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.34031 4.28224 7.11491 10.8614 8.23404 7.78689 8.44353 11.6319 8.22812 9.26377 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.34031 4.28224 7.11491 10.8614 8.23404 7.78689 6.11249 5.39812 4.22002 4.88527 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 7.34031 4.28224 7.11491 10.8614 8.23404 7.78689 7.86326 8.55482 5.77855 4.76279 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 7.34031 4.28224 7.11491 10.8614 8.23404 7.78689 9.41827 3.59761 8.10774 5.56357 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 7.34031 4.28224 7.11491 10.8614 8.23404 7.78689 4.74786 3.50984 6.5241 9.94951 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 8.58829 12.2529 8.56365 18.0126 11.8248 7.7927 15.636 11.2833 5.37439 4.10953 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 8.58829 12.2529 8.56365 18.0126 11.8248 7.7927 16.1395 12.3471 8.3714 5.70353 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 8.58829 12.2529 8.56365 18.0126 11.8248 7.7927 7.08628 6.34854 6.36817 11.246 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 8.58829 12.2529 8.56365 16.0298 9.10288 6.17378 15.636 11.2833 5.37439 5.46483 numMergedOcc 0
10 mol 48 unq 9 iso 0 dist 8.58829 12.2529 8.56365 16.0298 9.10288 6.17378 16.1395 12.3471 8.3714 7.86518 numMergedOcc 0
11 mol 48 unq 10 iso 0 dist 8.58829 12.2529 8.56365 16.0298 9.10288 6.17378 7.08628 6.34854 6.36817 9.92075 numMergedOcc 0
12 mol 48 unq 11 iso 0 dist 7.281 4.12075 7.1829 10.6461 8.13327 7.70645 9.38938 3.60121 8.14245 5.43784 numMergedOcc 0
13 mol 48 unq 12 iso 0 dist 7.281 4.12075 7.1829 10.6461 8.13327 7.70645 4.53565 3.65036 6.36817 9.7018 numMergedOcc 0
14 mol 48 unq 13 iso 0 dist 7.281 4.12075 7.1829 10.6461 8.13327 7.70645 8.53722 11.611 8.0812 8.95384 numMergedOcc 0
15 mol 48 unq 14 iso 0 dist 7.281 4.12075 7.1829 10.6461 8.13327 7.70645 6.15814 5.37655 4.17933 4.57947 numMergedOcc 0
16 mol 48 unq 15 iso 0 dist 7.281 4.12075 7.1829 10.6461 8.13327 7.70645 7.70284 8.48119 5.54893 4.60843 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 9.63599 12.7451 7.56495 18.6327 9.78235 7.92114 14.294 6.29733 4.15789 4.69555 numMergedOcc 0
18 mol 79 unq 1 iso 0 dist 9.63599 12.7451 7.56495 14.3253 6.06691 8.18375 14.294 6.29733 4.15789 6.49084 numMergedOcc 0
19 mol 79 unq 2 iso 0 dist 7.87237 4.89844 7.38548 8.71844 6.0749 4.74254 7.08462 5.79629 6.20144 7.19532 numMergedOcc 0
20 mol 79 unq 3 iso 0 dist 8.01743 7.82927 7.56495 13.3673 9.78235 7.92114 8.78124 6.29733 4.15789 4.69555 numMergedOcc 0
21 mol 79 unq 4 iso 0 dist 8.01743 7.82927 7.56495 12.9343 6.06691 8.18375 8.78124 6.29733 4.15789 6.49084 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 9.30424 4.19541 7.2932 7.46803 4.06908 6.60366 8.08798 4.5497 4.3855 5.94217 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 7.60254 7.8982 6.12453 13.1712 12.6805 7.0961 12.5943 8.8681 5.86767 6.06538 numMergedOcc 0
24 mol 168 unq 1 iso 0 dist 7.60254 7.8982 6.12453 13.1712 12.6805 7.0961 10.3398 3.73181 5.28353 10.919 numMergedOcc 0
25 mol 168 unq 2 iso 0 dist 7.60254 7.8982 6.12453 7.06851 4.02702 8.21227 12.5943 8.8681 5.86767 9.99868 numMergedOcc 0
26 mol 168 unq 3 iso 0 dist 7.60254 7.8982 6.12453 7.06851 4.02702 8.21227 10.3398 3.73181 5.28353 6.91388 numMergedOcc 0
27 mol 168 unq 4 iso 0 dist 7.60254 7.8982 6.12453 10.8636 7.61798 6.53038 12.5943 8.8681 5.86767 10.7133 numMergedOcc 0
28 mol 168 unq 5 iso 0 dist 7.60254 7.8982 6.12453 10.8636 7.61798 6.53038 10.3398 3.73181 5.28353 6.65321 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 7.69296 3.92649 5.05626 10.1796 3.94038 8.49349 8.3107 6.28944 8.66082 4.84709 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 7.69296 11.4548 8.41013 10.1796 3.94038 6.50654 8.3107 6.28944 7.96338 4.84709 numMergedOcc 0
31 mol 214 unq 2 iso 0 dist 7.69296 11.4548 8.41013 10.1796 3.94038 6.50654 10.9638 7.23583 7.42759 4.16963 numMergedOcc 0
32 mol 256 unq 0 iso 0 dist 7.48269 3.89364 4.36333 8.94802 4.10994 7.32564 5.85613 5.59732 5.58222 4.96861 numMergedOcc 0
33 mol 256 unq 1 iso 0 dist 6.71249 3.89364 6.96483 8.94802 3.90666 7.32564 5.85613 3.96807 5.58222 4.96861 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 5.59555 8.99193 9.25759 8.59762 5.97664 4.93516 5.50067 5.39801 4.68668 3.66473 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 5.59555 8.99193 9.25759 8.59762 5.97664 4.93516 5.50067 5.39801 4.68668 3.66473 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 5.59555 8.99193 9.25759 8.59762 5.97664 4.93516 5.50067 5.39801 4.68668 3.66473 numMergedOcc 0
