0 mol 16 unq 0 iso 0 dist 7.03948 6.42835 9.87867 5.30082 11.7521 5.94982 11.0958 16.2803 6.86055 6.72833 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.03948 6.42835 9.87867 5.30082 11.7521 5.94982 5.05803 6.2983 5.01101 6.93532 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.685 7.6114 7.1845 5.68392 9.71382 6.29797 6.03987 10.3635 5.86705 6.85556 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.64665 9.22598 8.59939 9.95364 10.4309 9.01564 6.62496 4.67832 9.87158 8.80614 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 8.89374 8.96727 14.6599 5.49591 9.11258 9.01564 6.35756 6.47744 9.87158 8.80614 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 8.89374 8.01308 9.47022 5.49591 9.11258 7.11065 6.35756 6.47744 5.86526 8.80614 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 7.321 9.55118 6.74416 11.6378 13.1462 7.58875 9.96708 9.0131 5.69391 9.27838 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 5.11416 7.10439 6.14542 9.96396 7.41074 5.70116 9.24757 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 4.65521 8.68662 6.10063 6.56633 7.10439 8.96616 6.19304 7.41074 6.20232 9.24757 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 4.65521 7.4369 6.15714 6.56633 7.10439 6.14542 6.19304 7.41074 5.70116 9.24757 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.96555 7.13008 10.6094 10.9681 12.0529 8.93769 13.2315 14.9028 6.95017 7.52354 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 4.57832 8.73604 9.0176 11.9139 10.1448 12.847 7.69991 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.79571 7.21868 5.67107 4.57832 8.73604 9.0176 8.94367 5.41704 8.06642 6.23142 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 8.79571 7.21868 5.67107 4.57832 8.73604 9.0176 9.86662 6.17103 4.00092 9.94764 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 5.42582 7.93372 5.67107 5.29786 8.73604 9.0176 9.5126 10.1448 12.847 7.69991 numMergedOcc 0
15 mol 134 unq 4 iso 0 dist 5.42582 7.93372 5.67107 5.29786 8.73604 9.0176 6.37586 5.41704 8.06642 6.23142 numMergedOcc 0
16 mol 134 unq 5 iso 0 dist 5.42582 7.93372 5.67107 5.29786 8.73604 9.0176 9.71307 6.17103 4.00092 9.94764 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 5.50031 13.3276 9.16358 6.43582 12.1814 4.91785 7.92304 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 9.14392 8.97626 12.0485 6.89781 9.0529 9.24038 12.3052 5.48883 12.6999 8.69157 numMergedOcc 0
19 mol 155 unq 2 iso 0 dist 9.14392 8.97626 12.0485 6.89781 9.0529 9.24038 10.7829 9.36596 7.10286 6.53347 numMergedOcc 0
20 mol 155 unq 3 iso 0 dist 7.51198 8.97626 4.48516 5.50031 9.80845 9.16358 6.43582 6.34186 4.91785 7.92304 numMergedOcc 0
21 mol 155 unq 4 iso 0 dist 7.51198 8.97626 4.48516 6.89781 7.55196 9.24038 12.3052 8.78665 12.6999 8.69157 numMergedOcc 0
22 mol 155 unq 5 iso 0 dist 7.51198 8.97626 4.48516 6.89781 7.55196 9.24038 10.7829 5.40375 7.10286 6.53347 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 7.98142 6.64173 4.48306 5.63555 5.97685 8.12266 7.63312 9.60512 10.6474 5.9176 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 7.98142 9.01624 12.2513 7.20191 13.5221 5.99437 7.81386 9.53462 5.71898 9.39829 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 7.98142 9.01624 12.2513 7.20191 13.5221 5.99437 7.63312 9.60512 5.93724 6.41453 numMergedOcc 0
26 mol 181 unq 3 iso 0 dist 7.98142 9.55105 10.2172 5.63555 5.97685 9.43306 7.63312 9.60512 5.12833 5.9176 numMergedOcc 0
27 mol 181 unq 4 iso 0 dist 7.98142 9.55105 10.2172 7.20191 13.5221 8.4848 7.81386 9.53462 5.83796 9.39829 numMergedOcc 0
28 mol 181 unq 5 iso 0 dist 7.98142 9.55105 10.2172 7.20191 13.5221 8.4848 7.63312 9.60512 5.12833 6.41453 numMergedOcc 0
29 mol 181 unq 6 iso 0 dist 7.37327 6.64173 4.88823 5.63555 8.9289 8.12266 7.63312 13.3389 10.6474 5.9176 numMergedOcc 0
30 mol 181 unq 7 iso 0 dist 7.37327 9.01624 14.8923 7.20191 14.5372 5.99437 7.81386 11.1462 5.71898 9.39829 numMergedOcc 0
31 mol 181 unq 8 iso 0 dist 7.37327 9.01624 14.8923 7.20191 14.5372 5.99437 7.63312 13.3389 5.93724 6.41453 numMergedOcc 0
32 mol 181 unq 9 iso 0 dist 7.37327 9.55105 14.2334 5.63555 8.9289 9.43306 7.63312 13.3389 5.12833 5.9176 numMergedOcc 0
33 mol 181 unq 10 iso 0 dist 7.37327 9.55105 14.2334 7.20191 14.5372 8.4848 7.81386 11.1462 5.83796 9.39829 numMergedOcc 0
34 mol 181 unq 11 iso 0 dist 7.37327 9.55105 14.2334 7.20191 14.5372 8.4848 7.63312 13.3389 5.12833 6.41453 numMergedOcc 0
35 mol 188 unq 0 iso 0 dist 6.90541 7.88013 6.39872 8.77113 11.4648 8.66624 13.353 12.0548 9.71636 7.14503 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 5.90931 7.9133 11.2106 5.86489 11.641 9.48625 8.51516 12.9483 5.57347 7.32294 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 10.204 19.0662 9.18728 8.65997 14.6185 5.0317 7.43071 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 9.62609 6.91318 11.5454 10.204 19.0662 9.18728 10.8157 17.2469 5.83175 6.02296 numMergedOcc 0
39 mol 227 unq 2 iso 0 dist 9.62609 6.91318 11.5454 9.72615 14.0608 8.91971 8.65997 14.6185 5.0317 5.41321 numMergedOcc 0
40 mol 227 unq 3 iso 0 dist 8.17891 5.23634 4.09934 6.35849 12.2922 9.18728 7.22101 6.43754 5.0317 7.43071 numMergedOcc 0
41 mol 227 unq 4 iso 0 dist 8.17891 5.23634 4.09934 6.35849 12.2922 9.18728 7.09863 9.13836 5.83175 6.02296 numMergedOcc 0
42 mol 227 unq 5 iso 0 dist 8.17891 5.23634 4.09934 10.9607 7.57454 8.91971 7.22101 6.43754 5.0317 5.41321 numMergedOcc 0
43 mol 227 unq 6 iso 0 dist 6.95902 6.91318 4.09934 10.204 12.2922 9.18728 8.65997 6.43754 5.0317 7.43071 numMergedOcc 0
44 mol 227 unq 7 iso 0 dist 6.95902 6.91318 4.09934 10.204 12.2922 9.18728 10.8157 9.13836 5.83175 6.02296 numMergedOcc 0
45 mol 227 unq 8 iso 0 dist 6.95902 6.91318 4.09934 9.72615 7.57454 8.91971 8.65997 6.43754 5.0317 5.41321 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 10.0059 7.43663 7.77911 10.3625 5.9221 13.1872 7.32499 numMergedOcc 0
47 mol 234 unq 1 iso 0 dist 7.85175 7.81215 10.5304 10.0059 10.0212 7.77911 10.3625 10.381 13.1872 7.32499 numMergedOcc 0
48 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 5.08515 7.94068 7.77911 11.0622 13.2297 13.1872 7.32499 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 6.50589 9.30212 15.0646 9.5468 12.6896 7.77765 12.3938 17.8575 5.22914 7.46394 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 6.50589 9.30212 15.0646 9.5468 12.6896 7.77765 10.7806 14.168 12.393 9.45514 numMergedOcc 0
51 mol 274 unq 2 iso 0 dist 6.50589 9.30212 15.0646 9.5468 12.6896 7.77765 16.3286 16.804 16.5034 8.91672 numMergedOcc 0
52 mol 274 unq 3 iso 0 dist 6.50589 9.30212 15.0646 9.5468 12.6896 7.77765 13.5896 17.7203 10.2884 7.1729 numMergedOcc 0
53 mol 274 unq 4 iso 0 dist 6.50589 6.4611 5.70568 9.5468 12.6896 9.65868 12.3938 17.8575 14.7507 7.46394 numMergedOcc 0
54 mol 274 unq 5 iso 0 dist 6.50589 6.4611 5.70568 9.5468 12.6896 9.65868 10.7806 14.168 8.87855 9.45514 numMergedOcc 0
55 mol 274 unq 6 iso 0 dist 6.50589 6.4611 5.70568 9.5468 12.6896 9.65868 16.3286 16.804 12.5615 8.91672 numMergedOcc 0
56 mol 274 unq 7 iso 0 dist 6.50589 6.4611 5.70568 9.5468 12.6896 9.65868 13.5896 17.7203 13.0867 7.1729 numMergedOcc 0
57 mol 274 unq 8 iso 0 dist 6.50589 6.4611 5.70568 6.70925 11.838 8.60027 13.9359 19.9909 16.9539 8.52587 numMergedOcc 0
58 mol 274 unq 9 iso 0 dist 6.50589 6.4611 5.70568 6.70925 11.838 8.60027 10.7806 14.168 8.87855 6.39866 numMergedOcc 0
