0 mol 15 unq 0 iso 0 dist 6.42748 8.85174 5.20798 10.1154 6.03257 6.23015 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 9.06424 5.93898 6.17993 10.6971 11.0806 6.28263 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.41441 7.95042 10.0453 8.52463 6.72323 5.80953 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.70827 6.6219 4.04519 6.56748 11.9138 9.73647 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.70827 5.68215 13.7009 6.56748 11.9138 7.26334 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.70827 5.68215 13.7009 4.50066 11.8282 6.19899 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.70827 5.68215 13.7009 5.11617 12.8389 6.61696 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.73939 6.6219 12.5545 6.56748 5.95834 9.73647 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 6.73939 5.68215 4.08755 6.56748 5.95834 7.26334 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 6.73939 5.68215 4.08755 4.50066 4.2121 6.19899 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 6.73939 5.68215 4.08755 5.11617 6.72323 6.61696 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 9.12854 8.87744 9.86385 6.38336 11.4596 4.5711 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 9.12854 7.27472 10.4353 6.38336 11.4596 4.44526 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 9.12854 7.27472 10.4353 6.7828 11.6684 9.586 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 8.87757 7.05196 3.904 7.33728 6.25843 5.20109 numMergedOcc 0
15 mol 25 unq 1 iso 0 dist 6.16347 9.48085 9.62058 6.08585 6.25843 6.53269 numMergedOcc 0
16 mol 25 unq 2 iso 0 dist 6.16347 9.48085 9.62058 9.15781 9.86839 9.81524 numMergedOcc 0
17 mol 25 unq 3 iso 0 dist 7.45383 6.55597 4.98822 5.77929 6.25843 9.16515 numMergedOcc 0
18 mol 25 unq 4 iso 0 dist 7.45383 7.07751 7.91914 5.77929 6.25843 9.82987 numMergedOcc 0
19 mol 25 unq 5 iso 0 dist 7.45383 9.49421 9.62058 5.77929 6.25843 6.53269 numMergedOcc 0
20 mol 25 unq 6 iso 0 dist 7.45383 9.49421 9.62058 6.68639 9.86839 9.81524 numMergedOcc 0
21 mol 25 unq 7 iso 0 dist 9.01548 6.55597 13.4321 5.77929 8.88938 9.16515 numMergedOcc 0
22 mol 25 unq 8 iso 0 dist 9.01548 7.07751 9.66912 5.77929 8.88938 9.82987 numMergedOcc 0
23 mol 25 unq 9 iso 0 dist 9.01548 9.49421 5.38592 5.77929 8.88938 6.53269 numMergedOcc 0
24 mol 25 unq 10 iso 0 dist 9.01548 9.49421 5.38592 6.68639 10.4292 9.81524 numMergedOcc 0
25 mol 25 unq 11 iso 0 dist 8.6653 7.6114 10.8122 5.68392 12.0452 6.29797 numMergedOcc 0
26 mol 25 unq 12 iso 0 dist 7.92503 9.48085 10.2758 6.08585 11.4912 6.53269 numMergedOcc 0
27 mol 25 unq 13 iso 0 dist 7.92503 9.48085 10.2758 9.15781 14.4754 9.81524 numMergedOcc 0
28 mol 58 unq 0 iso 0 dist 5.93884 9.22598 5.66912 9.95364 10.2007 9.01564 numMergedOcc 0
29 mol 58 unq 1 iso 0 dist 7.68678 8.96727 5.66912 5.49591 10.2007 9.01564 numMergedOcc 0
30 mol 58 unq 2 iso 0 dist 7.68678 8.01308 5.76523 5.49591 10.2007 7.11065 numMergedOcc 0
31 mol 60 unq 0 iso 0 dist 9.90939 8.4312 5.85676 5.94827 8.97364 6.63448 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 5.37007 7.13008 6.26082 7.05542 10.9574 8.98912 numMergedOcc 0
33 mol 92 unq 1 iso 0 dist 5.37007 7.13008 6.26082 10.9681 12.7158 8.93769 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 7.94178 7.36769 9.84703 numMergedOcc 0
35 mol 98 unq 1 iso 0 dist 6.7117 5.10496 3.94967 4.4057 6.88901 4.62494 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 7.23884 9.64383 12.82 18.5442 20.1304 9.25444 numMergedOcc 0
37 mol 98 unq 3 iso 0 dist 7.23884 9.64383 12.82 16.4267 20.7069 8.46823 numMergedOcc 0
38 mol 98 unq 4 iso 0 dist 4.47349 7.54889 3.92737 9.85543 7.36769 9.25444 numMergedOcc 0
39 mol 98 unq 5 iso 0 dist 4.47349 7.54889 3.92737 9.67482 6.88901 8.46823 numMergedOcc 0
40 mol 98 unq 6 iso 0 dist 4.47349 5.2571 3.94967 9.85543 7.36769 9.84703 numMergedOcc 0
41 mol 98 unq 7 iso 0 dist 4.47349 5.2571 3.94967 9.67482 6.88901 4.62494 numMergedOcc 0
42 mol 98 unq 8 iso 0 dist 5.65185 7.78931 3.92737 7.28361 7.36769 9.25444 numMergedOcc 0
43 mol 98 unq 9 iso 0 dist 5.65185 7.78931 3.92737 12.0974 6.88901 8.46823 numMergedOcc 0
44 mol 98 unq 10 iso 0 dist 5.65185 8.7497 3.94967 7.28361 7.36769 9.84703 numMergedOcc 0
45 mol 98 unq 11 iso 0 dist 5.65185 8.7497 3.94967 12.0974 6.88901 4.62494 numMergedOcc 0
46 mol 100 unq 0 iso 0 dist 7.80975 9.90751 15.0328 6.12107 12.71 7.81446 numMergedOcc 0
47 mol 100 unq 1 iso 0 dist 7.80975 9.21662 12.48 6.12107 12.71 6.55173 numMergedOcc 0
48 mol 100 unq 2 iso 0 dist 7.80975 9.21662 12.48 5.42531 9.5057 6.59691 numMergedOcc 0
49 mol 119 unq 0 iso 0 dist 9.11344 6.99446 5.37917 10.8661 12.0976 8.67537 numMergedOcc 0
50 mol 119 unq 1 iso 0 dist 6.52773 7.64052 5.37917 12.0175 12.0976 8.67537 numMergedOcc 0
51 mol 119 unq 2 iso 0 dist 8.00003 8.95212 12.3661 5.13589 13.0074 8.67537 numMergedOcc 0
52 mol 119 unq 3 iso 0 dist 9.23858 7.64052 15.7711 12.0175 21.1416 8.67537 numMergedOcc 0
53 mol 167 unq 0 iso 0 dist 9.67741 7.02548 5.95858 7.08726 12.5323 8.86449 numMergedOcc 0
54 mol 168 unq 0 iso 0 dist 7.44629 6.02086 4.02702 12.9045 10.0169 9.42807 numMergedOcc 0
55 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 4.43096 7.32087 7.35884 numMergedOcc 0
56 mol 181 unq 1 iso 0 dist 6.22122 8.59874 6.39406 6.06566 7.32087 7.35884 numMergedOcc 0
57 mol 181 unq 2 iso 0 dist 5.94469 6.64173 4.98436 5.63555 10.3104 8.12266 numMergedOcc 0
58 mol 181 unq 3 iso 0 dist 5.94469 9.01624 11.9796 7.20191 11.8933 5.99437 numMergedOcc 0
59 mol 181 unq 4 iso 0 dist 5.94469 9.55105 12.3589 5.63555 10.3104 9.43306 numMergedOcc 0
60 mol 181 unq 5 iso 0 dist 5.94469 9.55105 12.3589 7.20191 11.8933 8.4848 numMergedOcc 0
61 mol 184 unq 0 iso 0 dist 6.42735 5.96423 4.67256 8.08596 7.54099 7.58375 numMergedOcc 0
62 mol 204 unq 0 iso 0 dist 9.68728 7.9133 14.0756 5.86489 10.2072 9.48625 numMergedOcc 0
63 mol 232 unq 0 iso 0 dist 9.05071 6.71524 11.2243 4.9377 9.8664 9.9183 numMergedOcc 0
64 mol 235 unq 0 iso 0 dist 8.69356 8.19317 10.0135 6.82855 14.3946 8.97952 numMergedOcc 0
65 mol 273 unq 0 iso 0 dist 8.49177 9.59325 3.78984 4.60101 7.16346 6.35532 numMergedOcc 0
66 mol 292 unq 0 iso 0 dist 7.07965 7.20674 13.8094 8.83082 14.792 8.62162 numMergedOcc 0
