0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 10.4366 6.93532 16.9082 11.7521 11.0298 5.01101 15.1441 9.87867 5.94982 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 7.08342 8.40416 7.75618 7.02548 12.2354 10.4416 8.7083 4.01494 8.54034 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 7.08342 7.75618 8.40416 7.02548 12.2354 8.7083 10.4416 4.01494 8.54034 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 5.68392 6.85556 9.79094 9.71382 7.6114 5.86705 6.10919 7.1845 6.29797 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 9.58673 5.92889 10.2241 5.78774 9.92355 5.93884 13.7654 10.2845 6.57389 4.23671 10.3317 9.53438 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 9.58673 5.92889 7.05413 5.78774 9.92355 7.68678 13.7654 10.2845 6.57389 5.6823 10.3317 9.53438 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 9.58673 10.2241 5.92889 5.78774 5.93884 9.92355 13.7654 10.2845 4.23671 6.57389 10.3317 9.53438 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 9.58673 10.2241 7.05413 5.78774 5.93884 7.68678 13.7654 10.2845 4.23671 5.6823 10.3317 9.53438 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 5.78774 7.68678 9.92355 13.7654 10.2845 5.6823 6.57389 10.3317 9.53438 numMergedOcc 0
9 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 5.78774 7.68678 5.93884 13.7654 10.2845 5.6823 4.23671 10.3317 9.53438 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 6.65721 6.72123 6.86346 8.76003 5.83489 7.39396 13.5488 9.25641 14.4663 14.7343 15.4215 8.89519 13.1852 11.5451 8.60069 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 11.6378 9.27838 16.0048 13.1462 9.55118 5.69391 9.78221 6.74416 7.58875 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 11.6378 9.27838 16.0048 13.1462 13.641 5.57624 11.0769 10.296 9.52749 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 11.6378 9.27838 16.0048 13.1462 12.111 4.03844 11.5881 10.7904 6.91169 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.11416 9.24757 13.8696 7.10439 12.2276 6.20232 18.7673 6.10063 8.96616 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.11416 9.24757 13.8696 7.10439 9.73086 5.70116 17.4121 6.15714 6.14542 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.11416 9.24757 13.0145 7.10439 12.2276 6.20232 17.2422 6.10063 8.96616 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.11416 9.24757 13.0145 7.10439 9.73086 5.70116 14.844 6.15714 6.14542 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 9.29301 9.82915 12.0078 10.0297 13.3997 11.9064 15.6263 10.1974 5.05893 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 9.29301 9.82915 12.0078 10.0297 14.6517 14.7521 17.6445 13.078 5.71866 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 13.5116 9.82915 12.0078 10.0297 15.8175 11.9064 15.6263 10.1974 5.05893 numMergedOcc 0
21 mol 85 unq 3 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 13.5116 9.82915 12.0078 10.0297 18.2645 14.7521 17.6445 13.078 5.71866 numMergedOcc 0
22 mol 85 unq 4 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 13.5116 9.82915 14.4382 10.0297 15.8175 11.9064 15.1278 10.1974 5.05893 numMergedOcc 0
23 mol 85 unq 5 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 13.5116 9.82915 14.4382 10.0297 18.2645 14.7521 18.3973 13.078 5.71866 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 12.2861 8.30845 10.6086 9.44658 9.76432 6.23008 5.16579 6.13211 6.59691 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 12.2861 8.30845 18.1777 9.44658 9.76432 6.23008 14.4607 6.13211 6.59691 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.71679 7.69991 6.23142 8.73604 11.988 12.847 8.06642 5.67107 9.0176 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 4.57832 6.23142 9.94764 8.73604 7.21868 8.06642 4.00092 5.67107 9.0176 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.29786 6.23142 9.94764 8.73604 7.93372 8.06642 4.00092 5.67107 9.0176 numMergedOcc 0
29 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.71679 6.23142 7.69991 8.73604 11.988 8.06642 12.847 5.67107 9.0176 numMergedOcc 0
30 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 4.57832 9.94764 6.23142 8.73604 7.21868 4.00092 8.06642 5.67107 9.0176 numMergedOcc 0
31 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.29786 9.94764 6.23142 8.73604 7.93372 4.00092 8.06642 5.67107 9.0176 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 5.50031 7.92304 12.2416 13.3276 8.97626 4.91785 9.16779 12.0485 9.16358 numMergedOcc 0
33 mol 155 unq 1 iso 0 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 5.50031 7.92304 12.2416 9.80845 8.97626 4.91785 9.16779 4.48516 9.16358 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 7.20191 9.39829 6.41453 13.5221 9.01624 5.71898 5.93724 12.2513 5.99437 numMergedOcc 0
35 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 7.20191 9.39829 6.41453 13.5221 9.55105 5.83796 5.12833 10.2172 8.4848 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 7.20191 9.39829 6.41453 14.5372 9.01624 5.71898 5.93724 14.8923 5.99437 numMergedOcc 0
37 mol 181 unq 3 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 7.20191 9.39829 6.41453 14.5372 9.55105 5.83796 5.12833 14.2334 8.4848 numMergedOcc 0
38 mol 181 unq 4 iso 0 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 5.63555 5.9176 10.4943 5.97685 6.64173 10.6474 6.8757 4.48306 8.12266 numMergedOcc 0
39 mol 181 unq 5 iso 0 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 5.63555 5.9176 10.4943 5.97685 9.55105 5.12833 5.83796 10.2172 9.43306 numMergedOcc 0
40 mol 181 unq 6 iso 0 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 5.63555 5.9176 10.4943 5.97685 11.7785 4.61184 11.3203 10.9122 8.59681 numMergedOcc 0
41 mol 181 unq 7 iso 0 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 7.20191 6.41453 9.39829 13.5221 9.01624 5.93724 5.71898 12.2513 5.99437 numMergedOcc 0
42 mol 181 unq 8 iso 0 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 7.20191 6.41453 9.39829 13.5221 9.55105 5.12833 5.83796 10.2172 8.4848 numMergedOcc 0
43 mol 181 unq 9 iso 0 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 5.63555 5.9176 10.4943 8.9289 6.64173 10.6474 6.8757 4.88823 8.12266 numMergedOcc 0
44 mol 181 unq 10 iso 0 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 5.63555 5.9176 10.4943 8.9289 9.55105 5.12833 5.83796 14.2334 9.43306 numMergedOcc 0
45 mol 181 unq 11 iso 0 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 5.63555 5.9176 10.4943 8.9289 11.7785 4.61184 11.3203 16.1796 8.59681 numMergedOcc 0
46 mol 181 unq 12 iso 0 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 7.20191 6.41453 9.39829 14.5372 9.01624 5.93724 5.71898 14.8923 5.99437 numMergedOcc 0
47 mol 181 unq 13 iso 0 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 7.20191 6.41453 9.39829 14.5372 9.55105 5.12833 5.83796 14.2334 8.4848 numMergedOcc 0
48 mol 204 unq 0 iso 0 dist 8.51516 7.10633 10.8344 5.90931 12.9483 5.09262 5.86489 7.32294 11.5776 11.641 7.9133 5.57347 10.7169 11.2106 9.48625 numMergedOcc 0
49 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 6.35849 7.43071 6.02296 12.2922 5.23634 5.0317 5.83175 4.09934 9.18728 numMergedOcc 0
50 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 10.9607 5.41321 9.74265 7.57454 5.23634 5.0317 5.83175 4.09934 8.91971 numMergedOcc 0
51 mol 227 unq 2 iso 0 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 6.35849 6.02296 7.43071 12.2922 5.23634 5.83175 5.0317 4.09934 9.18728 numMergedOcc 0
