0 mol 11 unq 0 iso 0 dist 6.54358 6.86684 6.859 13.8584 9.74251 7.98326 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.54358 6.86684 6.859 10.604 6.56765 7.46578 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.85174 10.1154 6.23015 6.42748 5.20798 6.03257 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 5.93898 10.6971 6.28263 10.9364 5.55622 8.60289 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 7.95042 8.52463 5.80953 9.41441 10.0453 6.72323 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.6219 6.56748 9.73647 6.73939 12.5545 5.95834 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.68215 6.56748 7.26334 6.73939 4.08755 5.95834 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 5.68215 4.50066 6.19899 6.73939 4.08755 4.2121 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 5.68215 5.11617 6.61696 6.73939 4.08755 6.72323 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 7.05196 7.33728 5.20109 8.87757 3.904 6.25843 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 6.55597 5.77929 9.16515 7.45383 4.98822 6.25843 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 6.55597 5.77929 9.16515 9.01548 13.4321 8.88938 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 7.07751 5.77929 9.82987 7.45383 7.91914 6.25843 numMergedOcc 0
13 mol 25 unq 4 iso 0 dist 7.07751 5.77929 9.82987 9.01548 9.66912 8.88938 numMergedOcc 0
14 mol 25 unq 5 iso 0 dist 9.48085 6.08585 6.53269 6.16347 9.62058 6.25843 numMergedOcc 0
15 mol 25 unq 6 iso 0 dist 9.48085 6.08585 6.53269 13.8469 5.38592 8.88938 numMergedOcc 0
16 mol 25 unq 7 iso 0 dist 9.49421 5.77929 6.53269 7.45383 9.62058 6.25843 numMergedOcc 0
17 mol 25 unq 8 iso 0 dist 9.49421 5.77929 6.53269 9.01548 5.38592 8.88938 numMergedOcc 0
18 mol 26 unq 0 iso 0 dist 9.12845 6.04762 6.81793 10.3756 4.76998 6.56527 numMergedOcc 0
19 mol 48 unq 0 iso 0 dist 9.17838 8.82805 6.07052 13.1848 9.12073 8.19993 numMergedOcc 0
20 mol 60 unq 0 iso 0 dist 7.57295 9.49968 6.63448 10.1323 5.85676 8.97364 numMergedOcc 0
21 mol 60 unq 1 iso 0 dist 8.4312 5.94827 6.63448 9.90939 5.85676 8.97364 numMergedOcc 0
22 mol 60 unq 2 iso 0 dist 7.48086 5.32257 6.63448 11.6165 5.85676 8.97364 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 8.68662 6.56633 8.96616 10.2755 5.29727 8.87464 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 9.73086 5.11416 6.14542 12.1382 3.85385 8.87464 numMergedOcc 0
25 mol 73 unq 2 iso 0 dist 7.4369 6.56633 6.14542 10.2755 3.85385 8.87464 numMergedOcc 0
26 mol 76 unq 0 iso 0 dist 6.72869 4.85247 7.46095 11.2783 6.6642 8.95905 numMergedOcc 0
27 mol 76 unq 1 iso 0 dist 9.85905 6.45686 7.46095 9.38371 6.6642 8.95905 numMergedOcc 0
28 mol 79 unq 0 iso 0 dist 9.76379 6.79583 7.43127 14.2829 9.51372 9.78384 numMergedOcc 0
29 mol 92 unq 0 iso 0 dist 7.13008 7.05542 8.98912 10.2298 11.9597 9.60622 numMergedOcc 0
30 mol 92 unq 1 iso 0 dist 7.13008 10.9681 8.93769 10.2298 11.9597 9.91054 numMergedOcc 0
31 mol 98 unq 0 iso 0 dist 5.10496 7.94178 9.84703 6.7117 3.94967 7.36769 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 5.10496 4.4057 4.62494 6.7117 3.94967 6.88901 numMergedOcc 0
33 mol 98 unq 2 iso 0 dist 9.64383 18.5442 9.25444 12.5931 3.92737 7.36769 numMergedOcc 0
34 mol 98 unq 3 iso 0 dist 9.64383 16.4267 8.46823 12.5931 3.92737 6.88901 numMergedOcc 0
35 mol 98 unq 4 iso 0 dist 5.92242 15.7178 9.84703 9.42961 3.94967 7.36769 numMergedOcc 0
36 mol 98 unq 5 iso 0 dist 5.92242 7.42446 4.62494 9.42961 3.94967 6.88901 numMergedOcc 0
37 mol 98 unq 6 iso 0 dist 7.54889 9.85543 9.25444 4.47349 3.92737 7.36769 numMergedOcc 0
38 mol 98 unq 7 iso 0 dist 7.54889 9.67482 8.46823 4.47349 3.92737 6.88901 numMergedOcc 0
39 mol 98 unq 8 iso 0 dist 5.2571 9.85543 9.84703 4.47349 3.94967 7.36769 numMergedOcc 0
40 mol 98 unq 9 iso 0 dist 5.2571 9.67482 4.62494 4.47349 3.94967 6.88901 numMergedOcc 0
41 mol 98 unq 10 iso 0 dist 7.78931 7.28361 9.25444 5.65185 3.92737 7.36769 numMergedOcc 0
42 mol 98 unq 11 iso 0 dist 7.78931 12.0974 8.46823 5.65185 3.92737 6.88901 numMergedOcc 0
43 mol 98 unq 12 iso 0 dist 8.7497 7.28361 9.84703 5.65185 3.94967 7.36769 numMergedOcc 0
44 mol 98 unq 13 iso 0 dist 8.7497 12.0974 4.62494 5.65185 3.94967 6.88901 numMergedOcc 0
45 mol 100 unq 0 iso 0 dist 8.91882 5.80144 6.59691 14.8081 12.48 9.5057 numMergedOcc 0
46 mol 100 unq 1 iso 0 dist 9.21662 5.42531 6.59691 7.80975 12.48 9.5057 numMergedOcc 0
47 mol 112 unq 0 iso 0 dist 9.05166 5.76986 8.72725 9.28592 8.72143 7.80873 numMergedOcc 0
48 mol 112 unq 1 iso 0 dist 5.56994 5.76986 6.11407 9.28592 5.08111 7.80873 numMergedOcc 0
49 mol 133 unq 0 iso 0 dist 8.77023 4.54648 8.83732 10.9581 6.24625 8.95662 numMergedOcc 0
50 mol 134 unq 0 iso 0 dist 9.66543 7.1797 9.0176 10.8985 15.0575 6.40575 numMergedOcc 0
51 mol 134 unq 1 iso 0 dist 7.21868 4.57832 9.0176 10.5252 15.0575 6.40575 numMergedOcc 0
52 mol 134 unq 2 iso 0 dist 7.93372 5.29786 9.0176 10.7586 15.0575 6.40575 numMergedOcc 0
53 mol 141 unq 0 iso 0 dist 8.07097 10.1386 5.92302 11.0743 10.0208 6.83404 numMergedOcc 0
54 mol 181 unq 0 iso 0 dist 9.76212 4.43096 7.35884 6.2479 6.39406 7.32087 numMergedOcc 0
55 mol 181 unq 1 iso 0 dist 8.59874 6.06566 7.35884 6.22122 6.39406 7.32087 numMergedOcc 0
56 mol 181 unq 2 iso 0 dist 6.64173 5.63555 8.12266 11.9764 14.2282 7.22883 numMergedOcc 0
57 mol 181 unq 3 iso 0 dist 9.55105 5.63555 9.43306 11.9764 10.273 7.22883 numMergedOcc 0
58 mol 184 unq 0 iso 0 dist 5.96423 8.08596 7.58375 6.42735 4.67256 7.54099 numMergedOcc 0
59 mol 232 unq 0 iso 0 dist 6.71524 4.9377 9.9183 13.7227 14.876 9.78181 numMergedOcc 0
60 mol 232 unq 1 iso 0 dist 6.71524 4.9377 9.9183 9.05071 11.2243 9.8664 numMergedOcc 0
61 mol 273 unq 0 iso 0 dist 9.59325 4.60101 6.35532 8.49177 3.78984 7.16346 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 9.30212 9.5468 7.77765 13.9123 13.9324 7.75216 numMergedOcc 0
63 mol 274 unq 1 iso 0 dist 6.4611 9.5468 9.65868 13.9123 10.7442 7.75216 numMergedOcc 0
64 mol 274 unq 2 iso 0 dist 6.4611 6.70925 8.60027 12.2077 13.3632 6.88827 numMergedOcc 0
65 mol 274 unq 3 iso 0 dist 6.4611 6.70925 8.60027 10.5387 5.39432 9.16942 numMergedOcc 0
66 mol 277 unq 0 iso 0 dist 9.57499 6.28695 9.26157 10.5329 16.0346 8.20644 numMergedOcc 0
67 mol 277 unq 1 iso 0 dist 5.46926 4.37645 9.26157 12.1618 16.0346 8.20644 numMergedOcc 0
68 mol 277 unq 2 iso 0 dist 8.9682 7.70529 9.26157 10.8214 16.0346 8.20644 numMergedOcc 0
