0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 4.29582 7.07399 11.7302 9.84471 5.49251 13.7602 6.23015 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 10.4366 6.93532 16.9082 11.0298 5.01101 15.1441 5.94982 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 9.74255 8.40416 7.75618 13.0732 10.4416 8.7083 8.54034 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.4674 7.82074 10.3915 9.74255 8.40416 12.3215 13.0732 10.4416 9.741 8.54034 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 8.4674 7.67038 9.74255 7.75618 8.40416 13.0732 8.7083 10.4416 8.54034 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.54938 7.82074 5.03957 9.74255 7.75618 12.3215 13.0732 8.7083 9.741 8.54034 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 4.51865 6.864 7.67038 7.08342 8.40416 7.75618 12.2354 10.4416 8.7083 8.54034 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 6.864 4.51865 7.67038 7.08342 7.75618 8.40416 12.2354 8.7083 10.4416 8.54034 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 12.5088 8.91183 14.8647 6.19899 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 8.67951 9.01567 13.4393 15.4457 13.0212 20.7962 8.49709 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 12.5088 8.91183 14.8647 6.61696 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 7.95042 5.69214 5.11636 5.80953 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 18.188 9.88364 15.4473 9.85784 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 18.4146 9.78753 14.8143 9.87996 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 12.5088 14.8647 8.91183 6.61696 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 7.95042 5.11636 5.69214 5.80953 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 8.86116 6.86014 10.0952 10.971 8.44664 16.1126 12.3058 4.79736 13.0134 9.98592 numMergedOcc 0
17 mol 24 unq 9 iso 0 dist 8.86116 6.86014 10.0952 13.4893 9.44691 15.8209 17.9275 14.4081 16.5942 9.586 numMergedOcc 0
18 mol 24 unq 10 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 20.8425 15.4313 26.5457 9.85784 numMergedOcc 0
19 mol 24 unq 11 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 19.3627 14.1829 24.962 9.87996 numMergedOcc 0
20 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 11.037 13.2447 14.9982 9.16515 numMergedOcc 0
21 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 13.0315 11.8139 14.1251 9.82987 numMergedOcc 0
22 mol 25 unq 2 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 11.971 6.28979 8.41421 9.40732 numMergedOcc 0
23 mol 25 unq 3 iso 0 dist 7.57578 7.17969 4.33106 6.08585 8.50222 7.55264 9.48085 5.18617 5.68041 6.53269 numMergedOcc 0
24 mol 25 unq 4 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 11.037 14.9982 13.2447 9.16515 numMergedOcc 0
25 mol 25 unq 5 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 13.0315 14.1251 11.8139 9.82987 numMergedOcc 0
26 mol 25 unq 6 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 11.971 8.41421 6.28979 9.40732 numMergedOcc 0
27 mol 25 unq 7 iso 0 dist 7.17969 7.57578 4.33106 6.08585 7.55264 8.50222 9.48085 5.68041 5.18617 6.53269 numMergedOcc 0
28 mol 25 unq 8 iso 0 dist 6.03987 7.31767 4.51512 5.68392 6.85556 9.79094 7.6114 5.86705 6.10919 6.29797 numMergedOcc 0
29 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 5.78774 9.92355 5.93884 10.2845 6.57389 4.23671 9.53438 numMergedOcc 0
30 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 5.78774 9.92355 7.68678 10.2845 6.57389 5.6823 9.53438 numMergedOcc 0
31 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 5.78774 5.93884 9.92355 10.2845 4.23671 6.57389 9.53438 numMergedOcc 0
32 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 5.78774 5.93884 7.68678 10.2845 4.23671 5.6823 9.53438 numMergedOcc 0
33 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 5.78774 7.68678 9.92355 10.2845 5.6823 6.57389 9.53438 numMergedOcc 0
34 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 5.78774 7.68678 5.93884 10.2845 5.6823 4.23671 9.53438 numMergedOcc 0
35 mol 61 unq 0 iso 0 dist 6.65721 6.72123 6.86346 13.5488 9.25641 14.4663 15.4215 8.89519 13.1852 8.60069 numMergedOcc 0
36 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 11.6378 9.27838 16.0048 9.55118 5.69391 9.78221 7.58875 numMergedOcc 0
37 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 11.6378 9.27838 16.0048 13.641 5.57624 11.0769 9.52749 numMergedOcc 0
38 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 11.6378 9.27838 16.0048 12.111 4.03844 11.5881 6.91169 numMergedOcc 0
39 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 5.11416 9.24757 13.8696 12.2276 6.20232 18.7673 8.96616 numMergedOcc 0
40 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 5.11416 9.24757 13.8696 9.73086 5.70116 17.4121 6.14542 numMergedOcc 0
41 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 5.11416 9.24757 13.0145 12.2276 6.20232 17.2422 8.96616 numMergedOcc 0
42 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 5.11416 9.24757 13.0145 9.73086 5.70116 14.844 6.14542 numMergedOcc 0
43 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.29301 9.82915 12.0078 13.3997 11.9064 15.6263 5.05893 numMergedOcc 0
44 mol 85 unq 1 iso 0 dist 7.97049 6.19965 5.42586 9.29301 9.82915 12.0078 14.6517 14.7521 17.6445 5.71866 numMergedOcc 0
45 mol 85 unq 2 iso 0 dist 7.47541 7.66905 5.42586 13.5116 9.82915 12.0078 15.8175 11.9064 15.6263 5.05893 numMergedOcc 0
46 mol 85 unq 3 iso 0 dist 7.47541 7.66905 5.42586 13.5116 9.82915 12.0078 18.2645 14.7521 17.6445 5.71866 numMergedOcc 0
47 mol 85 unq 4 iso 0 dist 7.47541 5.73196 6.87425 13.5116 9.82915 14.4382 15.8175 11.9064 15.1278 5.05893 numMergedOcc 0
48 mol 85 unq 5 iso 0 dist 7.47541 5.73196 6.87425 13.5116 9.82915 14.4382 18.2645 14.7521 18.3973 5.71866 numMergedOcc 0
49 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 5.80144 7.01812 8.30845 8.91882 4.03277 6.23008 6.59691 numMergedOcc 0
50 mol 100 unq 1 iso 0 dist 9.35224 6.56369 5.88134 10.0456 7.01812 8.30845 11.5088 4.03277 6.23008 6.59691 numMergedOcc 0
51 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 12.2861 8.30845 10.6086 9.76432 6.23008 5.16579 6.59691 numMergedOcc 0
52 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 12.2861 8.30845 18.1777 9.76432 6.23008 14.4607 6.59691 numMergedOcc 0
53 mol 100 unq 4 iso 0 dist 6.65086 9.60661 5.88134 5.80144 8.30845 7.01812 8.91882 6.23008 4.03277 6.59691 numMergedOcc 0
54 mol 100 unq 5 iso 0 dist 6.56369 9.35224 5.88134 10.0456 8.30845 7.01812 11.5088 6.23008 4.03277 6.59691 numMergedOcc 0
55 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 7.29399 4.97175 13.4182 11.8464 6.16616 10.7104 9.35533 numMergedOcc 0
56 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 4.54648 6.16242 5.87634 8.77023 13.0405 13.7612 8.83732 numMergedOcc 0
57 mol 133 unq 1 iso 0 dist 6.29155 8.00618 11.965 4.54648 6.16242 10.9061 8.77023 13.0405 15.0115 8.83732 numMergedOcc 0
58 mol 133 unq 2 iso 0 dist 6.80239 6.29155 7.81217 4.54648 5.87634 6.16242 8.77023 13.7612 13.0405 8.83732 numMergedOcc 0
59 mol 133 unq 3 iso 0 dist 6.80239 8.00618 7.79672 4.54648 5.87634 10.9061 8.77023 13.7612 15.0115 8.83732 numMergedOcc 0
60 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.71679 7.69991 6.23142 11.988 12.847 8.06642 9.0176 numMergedOcc 0
61 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 4.57832 6.23142 9.94764 7.21868 8.06642 4.00092 9.0176 numMergedOcc 0
62 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.29786 6.23142 9.94764 7.93372 8.06642 4.00092 9.0176 numMergedOcc 0
63 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 5.71679 6.23142 7.69991 11.988 8.06642 12.847 9.0176 numMergedOcc 0
64 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 4.57832 9.94764 6.23142 7.21868 4.00092 8.06642 9.0176 numMergedOcc 0
65 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 5.29786 9.94764 6.23142 7.93372 4.00092 8.06642 9.0176 numMergedOcc 0
66 mol 155 unq 0 iso 0 dist 6.43582 7.46303 7.66392 5.50031 7.92304 12.2416 8.97626 4.91785 9.16779 9.16358 numMergedOcc 0
67 mol 181 unq 0 iso 0 dist 8.03334 9.1374 13.2049 4.43096 6.46704 12.4878 10.0802 6.28125 11.1802 9.06571 numMergedOcc 0
68 mol 181 unq 1 iso 0 dist 8.03334 9.1374 13.2049 4.43096 6.46704 12.4878 9.76212 6.50233 12.9532 7.35884 numMergedOcc 0
69 mol 181 unq 2 iso 0 dist 8.03334 9.1374 13.2049 8.04639 6.59025 10.6908 10.0802 6.28125 11.1802 9.88897 numMergedOcc 0
70 mol 181 unq 3 iso 0 dist 7.81386 7.63312 8.85576 7.20191 9.39829 6.41453 9.01624 5.71898 5.93724 5.99437 numMergedOcc 0
71 mol 181 unq 4 iso 0 dist 7.81386 7.63312 8.85576 7.20191 9.39829 6.41453 9.55105 5.83796 5.12833 8.4848 numMergedOcc 0
72 mol 181 unq 5 iso 0 dist 7.63312 7.81386 8.85576 5.63555 5.9176 10.4943 6.64173 10.6474 6.8757 8.12266 numMergedOcc 0
73 mol 181 unq 6 iso 0 dist 7.63312 7.81386 8.85576 5.63555 5.9176 10.4943 9.55105 5.12833 5.83796 9.43306 numMergedOcc 0
74 mol 181 unq 7 iso 0 dist 7.63312 7.81386 8.85576 5.63555 5.9176 10.4943 11.7785 4.61184 11.3203 8.59681 numMergedOcc 0
75 mol 181 unq 8 iso 0 dist 7.63312 7.81386 8.85576 7.20191 6.41453 9.39829 9.01624 5.93724 5.71898 5.99437 numMergedOcc 0
76 mol 181 unq 9 iso 0 dist 7.63312 7.81386 8.85576 7.20191 6.41453 9.39829 9.55105 5.12833 5.83796 8.4848 numMergedOcc 0
77 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 11.7429 8.73217 17.7621 17.8564 10.8286 23.0199 9.99396 numMergedOcc 0
78 mol 186 unq 1 iso 0 dist 7.54065 8.87694 5.74635 11.7429 8.73217 14.2425 17.8564 10.8286 14.7662 9.99396 numMergedOcc 0
79 mol 204 unq 0 iso 0 dist 8.51516 7.10633 10.8344 5.86489 7.32294 11.5776 7.9133 5.57347 10.7169 9.48625 numMergedOcc 0
80 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 6.35849 7.43071 6.02296 5.23634 5.0317 5.83175 9.18728 numMergedOcc 0
81 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 10.9607 5.41321 9.74265 5.23634 5.0317 5.83175 8.91971 numMergedOcc 0
82 mol 227 unq 2 iso 0 dist 7.09863 7.22101 4.39704 6.35849 6.02296 7.43071 5.23634 5.83175 5.0317 9.18728 numMergedOcc 0
83 mol 229 unq 0 iso 0 dist 8.22528 7.03423 5.57838 6.65022 8.66332 11.1976 7.27993 5.70473 7.22525 9.37336 numMergedOcc 0
84 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 5.29529 8.52587 11.6126 12.8334 16.9539 19.9648 8.60027 numMergedOcc 0
