0 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 8.52463 7.29868 5.80953 12.5088 8.91183 10.7501 6.61696 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 7.95042 5.11636 8.52463 8.60554 5.80953 12.5088 14.8647 10.7501 6.61696 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.54419 6.6219 4.82629 6.56748 11.3566 9.73647 5.68215 10.1698 10.512 7.26334 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.54419 6.6219 4.82629 6.56748 11.3566 9.73647 10.4441 15.2259 13.2892 5.78532 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 5.54419 5.68215 10.1698 6.56748 11.3566 7.26334 6.6219 4.82629 10.512 9.73647 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 5.54419 5.68215 10.1698 6.56748 11.3566 7.26334 10.4441 15.2259 7.46758 5.78532 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 5.54419 5.68215 10.1698 4.50066 9.83002 6.19899 10.4441 15.2259 7.46758 8.49709 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 5.54419 5.68215 10.1698 5.11617 8.4051 6.61696 10.9113 13.6174 10.7501 5.80953 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 7.36323 8.87744 6.28159 6.38336 8.23446 4.5711 10.502 5.73029 6.08292 9.33304 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 7.36323 8.87744 6.28159 6.38336 8.23446 4.5711 7.27472 5.50396 3.73215 4.44526 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 7.36323 7.27472 5.50396 6.38336 8.23446 4.44526 10.502 5.73029 8.40153 9.33304 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 7.36323 7.27472 5.50396 6.38336 8.23446 4.44526 8.87744 6.28159 3.73215 4.5711 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 5.04899 6.55597 4.69295 5.77929 8.87757 9.16515 7.07751 8.79309 5.78812 9.82987 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 5.04899 6.55597 4.69295 5.77929 8.87757 9.16515 11.008 14.9206 12.6527 9.40732 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 5.04899 6.55597 4.69295 5.77929 8.87757 9.16515 9.49421 13.6145 12.1732 6.53269 numMergedOcc 0
15 mol 25 unq 3 iso 0 dist 5.04899 7.07751 8.79309 5.77929 8.87757 9.82987 6.55597 4.69295 5.78812 9.16515 numMergedOcc 0
16 mol 25 unq 4 iso 0 dist 5.04899 7.07751 8.79309 5.77929 8.87757 9.82987 11.008 14.9206 8.68941 9.40732 numMergedOcc 0
17 mol 25 unq 5 iso 0 dist 5.04899 7.07751 8.79309 5.77929 8.87757 9.82987 9.49421 13.6145 9.54872 6.53269 numMergedOcc 0
18 mol 25 unq 6 iso 0 dist 5.04899 9.49421 13.6145 5.77929 8.87757 6.53269 6.55597 4.69295 12.1732 9.16515 numMergedOcc 0
19 mol 25 unq 7 iso 0 dist 5.04899 9.49421 13.6145 5.77929 8.87757 6.53269 7.07751 8.79309 9.54872 9.82987 numMergedOcc 0
20 mol 25 unq 8 iso 0 dist 5.04899 9.49421 13.6145 5.77929 8.87757 6.53269 11.008 14.9206 3.49276 9.40732 numMergedOcc 0
21 mol 25 unq 9 iso 0 dist 7.57578 9.48085 5.18617 6.08585 8.50222 6.53269 11.037 13.2447 12.1732 9.16515 numMergedOcc 0
22 mol 25 unq 10 iso 0 dist 7.57578 9.48085 5.18617 6.08585 8.50222 6.53269 13.0315 11.8139 9.54872 9.82987 numMergedOcc 0
23 mol 25 unq 11 iso 0 dist 7.57578 9.48085 5.18617 6.08585 8.50222 6.53269 11.971 6.28979 3.49276 9.40732 numMergedOcc 0
24 mol 25 unq 12 iso 0 dist 7.17969 9.48085 5.68041 6.08585 7.55264 6.53269 11.037 14.9982 12.1732 9.16515 numMergedOcc 0
25 mol 25 unq 13 iso 0 dist 7.17969 9.48085 5.68041 6.08585 7.55264 6.53269 13.0315 14.1251 9.54872 9.82987 numMergedOcc 0
26 mol 25 unq 14 iso 0 dist 7.17969 9.48085 5.68041 6.08585 7.55264 6.53269 11.971 8.41421 3.49276 9.40732 numMergedOcc 0
27 mol 58 unq 0 iso 0 dist 6.62496 9.22598 9.87158 9.95364 8.80614 9.01564 13.813 11.3019 7.13086 7.58739 numMergedOcc 0
28 mol 58 unq 1 iso 0 dist 6.62496 9.22598 9.87158 9.95364 8.80614 9.01564 9.55996 5.86526 6.20884 7.11065 numMergedOcc 0
29 mol 58 unq 2 iso 0 dist 6.35756 8.96727 9.87158 5.49591 8.80614 9.01564 11.2189 11.3019 7.13086 7.58739 numMergedOcc 0
30 mol 58 unq 3 iso 0 dist 6.35756 8.96727 9.87158 5.49591 8.80614 9.01564 8.01308 5.86526 6.20884 7.11065 numMergedOcc 0
31 mol 58 unq 4 iso 0 dist 6.35756 8.01308 5.86526 5.49591 8.80614 7.11065 11.2189 11.3019 5.68445 7.58739 numMergedOcc 0
32 mol 58 unq 5 iso 0 dist 6.35756 8.01308 5.86526 5.49591 8.80614 7.11065 8.96727 9.87158 6.20884 9.01564 numMergedOcc 0
33 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 11.6378 9.27838 7.58875 13.641 5.57624 4.86472 9.52749 numMergedOcc 0
34 mol 72 unq 1 iso 0 dist 9.96708 9.55118 5.69391 11.6378 9.27838 7.58875 12.111 4.03844 4.85556 6.91169 numMergedOcc 0
35 mol 72 unq 2 iso 0 dist 9.78528 9.55118 9.78221 11.6378 16.0048 7.58875 13.641 11.0769 4.86472 9.52749 numMergedOcc 0
36 mol 72 unq 3 iso 0 dist 9.78528 9.55118 9.78221 11.6378 16.0048 7.58875 12.111 11.5881 4.85556 6.91169 numMergedOcc 0
37 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 5.11416 13.8696 6.14542 12.2276 18.7673 3.30399 8.96616 numMergedOcc 0
38 mol 73 unq 1 iso 0 dist 9.96396 9.73086 5.70116 5.11416 9.24757 6.14542 12.2276 6.20232 3.30399 8.96616 numMergedOcc 0
39 mol 73 unq 2 iso 0 dist 6.19304 8.68662 6.20232 6.56633 9.24757 8.96616 7.4369 5.70116 3.30399 6.14542 numMergedOcc 0
40 mol 73 unq 3 iso 0 dist 6.19304 7.4369 5.70116 6.56633 9.24757 6.14542 8.68662 6.20232 3.30399 8.96616 numMergedOcc 0
41 mol 73 unq 4 iso 0 dist 9.75218 9.73086 14.844 5.11416 13.0145 6.14542 12.2276 17.2422 3.30399 8.96616 numMergedOcc 0
42 mol 92 unq 0 iso 0 dist 9.33898 7.06939 4.3481 9.44576 9.75237 6.87506 10.9241 5.31547 6.02822 6.59716 numMergedOcc 0
43 mol 92 unq 1 iso 0 dist 9.64443 9.36001 5.31547 13.9524 9.75237 6.59716 12.4681 4.3481 6.02822 6.87506 numMergedOcc 0
44 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 7.94178 11.3043 9.84703 9.81956 10.4782 6.70343 9.25444 numMergedOcc 0
45 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 4.4057 6.65501 4.62494 9.81956 10.4782 6.70343 8.46823 numMergedOcc 0
46 mol 98 unq 2 iso 0 dist 6.48948 5.92242 3.9764 15.7178 11.3043 9.84703 10.8223 10.4782 6.70343 9.25444 numMergedOcc 0
47 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 7.42446 6.65501 4.62494 10.8223 10.4782 6.70343 8.46823 numMergedOcc 0
48 mol 98 unq 4 iso 0 dist 6.10456 7.54889 10.4782 9.85543 11.3043 9.25444 5.2571 3.9764 6.70343 9.84703 numMergedOcc 0
49 mol 98 unq 5 iso 0 dist 6.10456 7.54889 10.4782 9.67482 6.65501 8.46823 5.2571 3.9764 6.70343 4.62494 numMergedOcc 0
50 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 9.85543 11.3043 9.84703 7.54889 10.4782 6.70343 9.25444 numMergedOcc 0
51 mol 98 unq 7 iso 0 dist 6.10456 5.2571 3.9764 9.67482 6.65501 4.62494 7.54889 10.4782 6.70343 8.46823 numMergedOcc 0
52 mol 100 unq 0 iso 0 dist 8.87449 9.90751 9.72773 6.12107 12.0685 7.81446 9.21662 9.39125 6.25463 6.55173 numMergedOcc 0
53 mol 100 unq 1 iso 0 dist 8.87449 9.21662 9.39125 6.12107 12.0685 6.55173 9.90751 9.72773 6.25463 7.81446 numMergedOcc 0
54 mol 100 unq 2 iso 0 dist 9.60661 8.91882 4.03277 6.71012 9.1361 6.55173 13.2137 9.81953 6.25463 7.81446 numMergedOcc 0
55 mol 100 unq 3 iso 0 dist 6.65086 8.91882 6.23008 6.71012 9.5074 6.55173 13.2137 12.0341 6.25463 7.81446 numMergedOcc 0
56 mol 181 unq 0 iso 0 dist 9.1374 9.76212 12.9532 4.43096 12.4878 7.35884 10.0802 11.1802 3.56877 9.06571 numMergedOcc 0
57 mol 181 unq 1 iso 0 dist 8.03334 9.76212 6.50233 4.43096 6.46704 7.35884 10.0802 6.28125 3.56877 9.06571 numMergedOcc 0
58 mol 181 unq 2 iso 0 dist 7.81386 6.64173 6.8757 5.63555 10.4943 8.12266 9.55105 5.83796 10.1041 9.43306 numMergedOcc 0
59 mol 181 unq 3 iso 0 dist 7.81386 6.64173 6.8757 5.63555 10.4943 8.12266 11.7785 11.3203 13.0097 8.59681 numMergedOcc 0
60 mol 181 unq 4 iso 0 dist 7.81386 9.01624 5.71898 7.20191 9.39829 5.99437 9.55105 5.83796 3.55187 8.4848 numMergedOcc 0
61 mol 181 unq 5 iso 0 dist 7.81386 9.55105 5.83796 5.63555 10.4943 9.43306 6.64173 6.8757 10.1041 8.12266 numMergedOcc 0
62 mol 181 unq 6 iso 0 dist 7.81386 9.55105 5.83796 5.63555 10.4943 9.43306 11.7785 11.3203 6.02942 8.59681 numMergedOcc 0
63 mol 181 unq 7 iso 0 dist 7.81386 9.55105 5.83796 7.20191 9.39829 8.4848 9.01624 5.71898 3.55187 5.99437 numMergedOcc 0
64 mol 181 unq 8 iso 0 dist 7.63312 6.64173 10.6474 5.63555 5.9176 8.12266 9.55105 5.12833 10.1041 9.43306 numMergedOcc 0
65 mol 181 unq 9 iso 0 dist 7.63312 6.64173 10.6474 5.63555 5.9176 8.12266 11.7785 4.61184 13.0097 8.59681 numMergedOcc 0
66 mol 181 unq 10 iso 0 dist 7.63312 9.01624 5.93724 7.20191 6.41453 5.99437 9.55105 5.12833 3.55187 8.4848 numMergedOcc 0
67 mol 181 unq 11 iso 0 dist 7.63312 9.55105 5.12833 5.63555 5.9176 9.43306 6.64173 10.6474 10.1041 8.12266 numMergedOcc 0
68 mol 181 unq 12 iso 0 dist 7.63312 9.55105 5.12833 5.63555 5.9176 9.43306 11.7785 4.61184 6.02942 8.59681 numMergedOcc 0
69 mol 181 unq 13 iso 0 dist 7.63312 9.55105 5.12833 7.20191 6.41453 8.4848 9.01624 5.93724 3.55187 5.99437 numMergedOcc 0
70 mol 222 unq 0 iso 0 dist 7.21333 5.56538 6.84862 7.75656 7.67576 8.43195 7.48954 9.53117 3.58181 8.23406 numMergedOcc 0
71 mol 222 unq 1 iso 0 dist 7.21333 7.48954 9.53117 7.75656 7.67576 8.23406 5.56538 6.84862 3.58181 8.43195 numMergedOcc 0
72 mol 224 unq 0 iso 0 dist 6.65832 6.99769 5.76843 5.91654 10.8507 9.25617 11.6293 16.3431 17.5293 9.46687 numMergedOcc 0
73 mol 224 unq 1 iso 0 dist 6.57273 8.79428 7.05804 7.38836 11.9653 9.25617 11.2517 17.7997 17.5293 9.46687 numMergedOcc 0
74 mol 224 unq 2 iso 0 dist 6.60589 8.79428 5.76843 7.38836 10.8507 9.25617 11.2517 16.3431 17.5293 9.46687 numMergedOcc 0
75 mol 224 unq 3 iso 0 dist 5.78342 6.8692 7.05804 10.6079 11.9653 9.25617 18.2411 17.7997 17.5293 9.46687 numMergedOcc 0
76 mol 224 unq 4 iso 0 dist 9.16166 6.8692 5.76843 10.6079 10.8507 9.25617 18.2411 16.3431 17.5293 9.46687 numMergedOcc 0
77 mol 224 unq 5 iso 0 dist 5.81334 6.8692 4.54188 10.6079 12.9355 9.25617 18.2411 20.823 17.5293 9.46687 numMergedOcc 0
78 mol 273 unq 0 iso 0 dist 9.01049 9.59325 12.2939 4.60101 11.6152 6.35532 12.205 16.8173 4.80896 7.85836 numMergedOcc 0
