0 mol 16 unq 0 iso 0 dist 6.42835 6.57331 6.09368 5.30082 5.94982 10.0132 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.6219 5.68215 10.512 6.56748 9.73647 7.26334 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.68215 6.6219 10.512 6.56748 7.26334 9.73647 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.68215 6.6219 10.512 4.50066 6.19899 10.1229 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.68215 6.6219 10.512 5.11617 6.61696 11.3231 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.87744 7.27472 3.73215 6.38336 4.5711 4.44526 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 7.27472 8.87744 3.73215 6.38336 4.44526 4.5711 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 7.27472 8.87744 3.73215 6.7828 9.586 12.6707 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.55597 7.52933 6.53015 5.77929 9.16515 12.7995 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 6.55597 9.71956 9.19736 5.77929 9.16515 11.5214 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 6.55597 7.07751 5.78812 5.77929 9.16515 9.82987 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 6.55597 8.23761 7.36721 5.77929 9.16515 13.3492 numMergedOcc 0
12 mol 25 unq 4 iso 0 dist 6.55597 9.49421 12.1732 5.77929 9.16515 6.53269 numMergedOcc 0
13 mol 25 unq 5 iso 0 dist 7.07751 7.52933 8.64476 5.77929 9.82987 12.7995 numMergedOcc 0
14 mol 25 unq 6 iso 0 dist 7.07751 6.55597 5.78812 5.77929 9.82987 9.16515 numMergedOcc 0
15 mol 25 unq 7 iso 0 dist 7.07751 9.71956 3.56099 5.77929 9.82987 11.5214 numMergedOcc 0
16 mol 25 unq 8 iso 0 dist 7.07751 8.23761 5.99526 5.77929 9.82987 13.3492 numMergedOcc 0
17 mol 25 unq 9 iso 0 dist 7.07751 9.49421 9.54872 5.77929 9.82987 6.53269 numMergedOcc 0
18 mol 25 unq 10 iso 0 dist 9.48085 4.79873 12.7147 6.08585 6.53269 9.35791 numMergedOcc 0
19 mol 25 unq 11 iso 0 dist 9.48085 4.79873 12.7147 9.15781 9.81524 12.5177 numMergedOcc 0
20 mol 25 unq 12 iso 0 dist 9.49421 7.52933 16.0628 5.77929 6.53269 12.7995 numMergedOcc 0
21 mol 25 unq 13 iso 0 dist 9.49421 7.52933 16.0628 6.68639 9.81524 13.5372 numMergedOcc 0
22 mol 25 unq 14 iso 0 dist 9.49421 6.55597 12.1732 5.77929 6.53269 9.16515 numMergedOcc 0
23 mol 25 unq 15 iso 0 dist 9.49421 6.55597 12.1732 6.68639 9.81524 11.7789 numMergedOcc 0
24 mol 25 unq 16 iso 0 dist 9.49421 9.71956 8.99147 5.77929 6.53269 11.5214 numMergedOcc 0
25 mol 25 unq 17 iso 0 dist 9.49421 9.71956 8.99147 6.68639 9.81524 14.8131 numMergedOcc 0
26 mol 25 unq 18 iso 0 dist 9.49421 7.07751 9.54872 5.77929 6.53269 9.82987 numMergedOcc 0
27 mol 25 unq 19 iso 0 dist 9.49421 7.07751 9.54872 6.68639 9.81524 12.893 numMergedOcc 0
28 mol 25 unq 20 iso 0 dist 9.49421 8.23761 14.6175 5.77929 6.53269 13.3492 numMergedOcc 0
29 mol 25 unq 21 iso 0 dist 9.49421 8.23761 14.6175 6.68639 9.81524 14.9101 numMergedOcc 0
30 mol 58 unq 0 iso 0 dist 8.96727 8.01308 6.20884 5.49591 9.01564 7.11065 numMergedOcc 0
31 mol 58 unq 1 iso 0 dist 8.01308 8.96727 6.20884 5.49591 7.11065 9.01564 numMergedOcc 0
32 mol 60 unq 0 iso 0 dist 7.48086 9.95132 8.42811 5.32257 6.63448 11.2466 numMergedOcc 0
33 mol 72 unq 0 iso 0 dist 9.55118 9.10345 9.20237 11.6378 7.58875 14.0067 numMergedOcc 0
34 mol 73 unq 0 iso 0 dist 8.68662 7.4369 3.30399 6.56633 8.96616 6.14542 numMergedOcc 0
35 mol 73 unq 1 iso 0 dist 7.4369 8.68662 3.30399 6.56633 6.14542 8.96616 numMergedOcc 0
36 mol 98 unq 0 iso 0 dist 5.92242 7.02507 9.6331 15.7178 9.84703 17.5956 numMergedOcc 0
37 mol 98 unq 1 iso 0 dist 5.92242 7.02507 9.6331 7.42446 4.62494 9.84743 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 7.54889 5.2571 6.70343 9.85543 9.25444 9.84703 numMergedOcc 0
39 mol 98 unq 3 iso 0 dist 7.54889 5.2571 6.70343 9.67482 8.46823 4.62494 numMergedOcc 0
40 mol 98 unq 4 iso 0 dist 5.2571 7.54889 6.70343 9.85543 9.84703 9.25444 numMergedOcc 0
41 mol 98 unq 5 iso 0 dist 5.2571 7.54889 6.70343 9.67482 4.62494 8.46823 numMergedOcc 0
42 mol 98 unq 6 iso 0 dist 7.78931 8.7497 6.70343 7.28361 9.25444 9.84703 numMergedOcc 0
43 mol 98 unq 7 iso 0 dist 7.78931 8.7497 6.70343 12.0974 8.46823 4.62494 numMergedOcc 0
44 mol 98 unq 8 iso 0 dist 8.7497 7.78931 6.70343 7.28361 9.84703 9.25444 numMergedOcc 0
45 mol 98 unq 9 iso 0 dist 8.7497 7.78931 6.70343 12.0974 4.62494 8.46823 numMergedOcc 0
46 mol 100 unq 0 iso 0 dist 9.90751 9.21662 6.25463 6.12107 7.81446 6.55173 numMergedOcc 0
47 mol 100 unq 1 iso 0 dist 9.21662 9.90751 6.25463 6.12107 6.55173 7.81446 numMergedOcc 0
48 mol 100 unq 2 iso 0 dist 9.21662 9.90751 6.25463 5.42531 6.59691 10.3057 numMergedOcc 0
49 mol 112 unq 0 iso 0 dist 9.05166 5.56994 5.11 5.76986 8.72725 6.11407 numMergedOcc 0
50 mol 112 unq 1 iso 0 dist 5.56994 9.05166 5.11 5.76986 6.11407 8.72725 numMergedOcc 0
51 mol 129 unq 0 iso 0 dist 5.51197 6.69691 5.94312 4.92472 6.34626 10.0995 numMergedOcc 0
52 mol 129 unq 1 iso 0 dist 5.51197 8.86944 9.74141 4.92472 6.34626 11.4468 numMergedOcc 0
53 mol 134 unq 0 iso 0 dist 9.10524 6.42772 7.62195 6.98221 7.83568 11.0688 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 7.93372 9.33924 11.4107 5.29786 9.0176 12.2587 numMergedOcc 0
55 mol 134 unq 2 iso 0 dist 9.00918 7.99477 4.87973 14.2198 7.83568 12.0743 numMergedOcc 0
56 mol 162 unq 0 iso 0 dist 7.45998 7.37333 3.77838 10.1865 8.33407 11.6618 numMergedOcc 0
57 mol 167 unq 0 iso 0 dist 6.84752 7.68266 3.55199 4.64019 8.86449 10.4753 numMergedOcc 0
58 mol 167 unq 1 iso 0 dist 7.86563 7.6616 3.55199 5.90938 8.86449 10.4753 numMergedOcc 0
59 mol 167 unq 2 iso 0 dist 7.02548 7.20495 6.81449 7.08726 8.86449 12.89 numMergedOcc 0
60 mol 167 unq 3 iso 0 dist 7.02548 9.2289 3.55199 7.08726 8.86449 10.4753 numMergedOcc 0
61 mol 181 unq 0 iso 0 dist 6.64173 9.01624 11.196 5.63555 8.12266 10.5303 numMergedOcc 0
62 mol 181 unq 1 iso 0 dist 6.64173 9.55105 10.1041 5.63555 8.12266 9.43306 numMergedOcc 0
63 mol 181 unq 2 iso 0 dist 9.01624 6.64173 11.196 7.20191 5.99437 12.6232 numMergedOcc 0
64 mol 181 unq 3 iso 0 dist 9.01624 9.55105 3.55187 7.20191 5.99437 8.4848 numMergedOcc 0
65 mol 181 unq 4 iso 0 dist 9.55105 6.64173 10.1041 5.63555 9.43306 8.12266 numMergedOcc 0
66 mol 181 unq 5 iso 0 dist 9.55105 6.64173 10.1041 7.20191 8.4848 12.6232 numMergedOcc 0
67 mol 181 unq 6 iso 0 dist 9.55105 9.01624 3.55187 5.63555 9.43306 10.5303 numMergedOcc 0
68 mol 181 unq 7 iso 0 dist 9.55105 9.01624 3.55187 7.20191 8.4848 5.99437 numMergedOcc 0
69 mol 184 unq 0 iso 0 dist 5.96423 8.97589 5.33725 8.08596 7.58375 10.6375 numMergedOcc 0
70 mol 186 unq 0 iso 0 dist 7.2793 9.51091 3.47886 10.5063 6.88127 9.90692 numMergedOcc 0
71 mol 186 unq 1 iso 0 dist 7.2793 7.85184 12.5618 10.5063 6.88127 14.7428 numMergedOcc 0
72 mol 188 unq 0 iso 0 dist 7.88013 9.90062 3.68927 8.77113 8.66624 11.5018 numMergedOcc 0
73 mol 220 unq 0 iso 0 dist 9.58404 9.20104 5.77461 4.82315 8.24649 10.5993 numMergedOcc 0
74 mol 222 unq 0 iso 0 dist 5.56538 7.48954 3.58181 7.75656 8.43195 8.23406 numMergedOcc 0
75 mol 222 unq 1 iso 0 dist 7.48954 5.56538 3.58181 7.75656 8.23406 8.43195 numMergedOcc 0
76 mol 235 unq 0 iso 0 dist 8.19317 6.29377 4.8835 6.82855 8.97952 10.1845 numMergedOcc 0
77 mol 235 unq 1 iso 0 dist 5.1823 5.70635 4.8835 6.46722 8.97952 10.1845 numMergedOcc 0
78 mol 274 unq 0 iso 0 dist 9.30212 6.4611 13.5848 9.5468 7.77765 9.65868 numMergedOcc 0
79 mol 274 unq 1 iso 0 dist 6.4611 9.30212 13.5848 9.5468 9.65868 7.77765 numMergedOcc 0
80 mol 274 unq 2 iso 0 dist 6.4611 9.30212 13.5848 6.70925 8.60027 10.0206 numMergedOcc 0
81 mol 277 unq 0 iso 0 dist 5.46926 5.13913 3.39114 4.37645 9.26157 9.11117 numMergedOcc 0
82 mol 277 unq 1 iso 0 dist 8.9682 9.35539 16.9644 7.70529 9.26157 12.9467 numMergedOcc 0
83 mol 277 unq 2 iso 0 dist 8.9682 6.92711 3.39114 7.70529 9.26157 9.11117 numMergedOcc 0
84 mol 292 unq 0 iso 0 dist 7.20674 8.38121 9.14614 8.83082 8.62162 10.8369 numMergedOcc 0
