0 mol 7 unq 0 iso 0 dist 6.66645 12.1978 5.72491 10.84 9.55056 10.789 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.66645 12.1978 5.72491 6.58295 7.45262 10.515 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.66645 4.78012 7.88043 10.84 9.55056 12.2708 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 6.66645 4.78012 7.88043 6.58295 7.45262 6.06176 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 5.22017 4.78012 8.80762 10.84 7.57354 12.2708 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 5.22017 4.78012 8.80762 6.58295 6.96586 6.06176 numMergedOcc 0
6 mol 8 unq 0 iso 0 dist 7.70793 14.4127 6.82379 7.55301 8.94096 13.7792 numMergedOcc 0
7 mol 8 unq 1 iso 0 dist 7.70793 14.4127 6.82379 5.95206 9.07858 15.4959 numMergedOcc 0
8 mol 8 unq 2 iso 0 dist 7.70793 12.428 6.24978 7.55301 8.94096 10.6893 numMergedOcc 0
9 mol 8 unq 3 iso 0 dist 7.70793 12.428 6.24978 5.95206 9.07858 12.0818 numMergedOcc 0
10 mol 8 unq 4 iso 0 dist 7.70793 14.2248 9.66439 7.55301 8.94096 13.8882 numMergedOcc 0
11 mol 8 unq 5 iso 0 dist 7.70793 14.2248 9.66439 5.95206 9.07858 11.4738 numMergedOcc 0
12 mol 8 unq 6 iso 0 dist 7.70793 8.93161 7.3915 7.55301 8.94096 12.8924 numMergedOcc 0
13 mol 8 unq 7 iso 0 dist 7.70793 8.93161 7.3915 5.95206 9.07858 4.85329 numMergedOcc 0
14 mol 13 unq 0 iso 0 dist 7.56303 7.01217 5.78148 10.6468 8.00865 13.1699 numMergedOcc 0
15 mol 13 unq 1 iso 0 dist 7.56303 7.01217 5.78148 6.28453 9.11447 11.1987 numMergedOcc 0
16 mol 13 unq 2 iso 0 dist 7.56303 7.16388 6.26071 10.6468 8.00865 10.5634 numMergedOcc 0
17 mol 13 unq 3 iso 0 dist 7.56303 7.16388 6.26071 6.28453 9.11447 12.0488 numMergedOcc 0
18 mol 13 unq 4 iso 0 dist 7.56303 10.9053 8.43325 10.6468 8.00865 8.66829 numMergedOcc 0
19 mol 13 unq 5 iso 0 dist 7.56303 10.9053 8.43325 6.28453 9.11447 14.2112 numMergedOcc 0
20 mol 25 unq 0 iso 0 dist 6.98291 6.32132 6.6492 8.01293 8.5404 4.70708 numMergedOcc 0
21 mol 44 unq 0 iso 0 dist 5.06773 9.6925 7.52117 7.91356 9.17518 5.87283 numMergedOcc 0
22 mol 44 unq 1 iso 0 dist 5.06773 9.6925 7.52117 3.92405 8.21833 10.6223 numMergedOcc 0
23 mol 44 unq 2 iso 0 dist 8.2444 14.7948 7.52117 13.347 9.17518 5.87283 numMergedOcc 0
24 mol 44 unq 3 iso 0 dist 8.2444 14.7948 7.52117 7.61459 8.21833 10.6223 numMergedOcc 0
25 mol 56 unq 0 iso 0 dist 6.59067 11.5896 8.63486 10.8447 8.98797 11.2318 numMergedOcc 0
26 mol 56 unq 1 iso 0 dist 8.58057 9.16445 6.77886 9.45587 5.86571 10.9467 numMergedOcc 0
27 mol 112 unq 0 iso 0 dist 9.67948 11.4909 6.43433 5.32838 7.82011 6.72991 numMergedOcc 0
28 mol 112 unq 1 iso 0 dist 9.67948 13.1737 9.92283 5.32838 7.82011 8.57646 numMergedOcc 0
29 mol 112 unq 2 iso 0 dist 6.55773 10.3209 6.43433 7.06309 7.82011 6.72991 numMergedOcc 0
30 mol 112 unq 3 iso 0 dist 6.55773 13.9635 9.92283 7.06309 7.82011 8.57646 numMergedOcc 0
31 mol 119 unq 0 iso 0 dist 9.2746 6.63018 7.99857 11.3281 9.87025 6.35763 numMergedOcc 0
32 mol 119 unq 1 iso 0 dist 9.2746 6.63018 7.99857 6.21945 5.85818 7.36192 numMergedOcc 0
33 mol 119 unq 2 iso 0 dist 9.2746 9.23197 8.56342 11.3281 9.87025 10.0197 numMergedOcc 0
34 mol 119 unq 3 iso 0 dist 9.2746 9.23197 8.56342 6.21945 5.85818 10.6679 numMergedOcc 0
35 mol 148 unq 0 iso 0 dist 9.14135 9.14127 9.02318 15.3515 8.12589 12.144 numMergedOcc 0
36 mol 148 unq 1 iso 0 dist 9.14135 14.7238 9.74542 15.3515 8.12589 10.2478 numMergedOcc 0
37 mol 148 unq 2 iso 0 dist 9.14135 11.3515 7.97543 15.3515 8.12589 6.29254 numMergedOcc 0
38 mol 150 unq 0 iso 0 dist 9.12067 14.7649 9.6606 15.4401 8.11592 10.2318 numMergedOcc 0
39 mol 150 unq 1 iso 0 dist 9.12067 11.4349 7.85526 15.4401 8.11592 6.25747 numMergedOcc 0
40 mol 150 unq 2 iso 0 dist 9.12067 9.10666 8.94552 15.4401 8.11592 12.154 numMergedOcc 0
41 mol 154 unq 0 iso 0 dist 7.77159 14.466 7.72144 10.0825 9.47362 13.9336 numMergedOcc 0
42 mol 154 unq 1 iso 0 dist 7.77159 14.466 7.72144 11.0324 6.28417 6.53652 numMergedOcc 0
43 mol 156 unq 0 iso 0 dist 8.63783 10.0792 9.43259 7.00982 6.87906 13.2847 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 8.63783 10.0792 9.43259 9.50607 8.49473 16.5051 numMergedOcc 0
45 mol 156 unq 2 iso 0 dist 8.63783 10.0792 9.43259 7.69314 7.94975 5.97294 numMergedOcc 0
46 mol 156 unq 3 iso 0 dist 8.63783 10.0792 9.43259 16.0317 9.39865 13.6496 numMergedOcc 0
47 mol 156 unq 4 iso 0 dist 7.96867 6.205 9.31851 7.00982 9.54367 10.5873 numMergedOcc 0
48 mol 156 unq 5 iso 0 dist 7.96867 6.205 9.31851 7.69314 7.26859 4.73711 numMergedOcc 0
49 mol 156 unq 6 iso 0 dist 7.96867 10.0792 6.2319 7.00982 9.54367 13.2847 numMergedOcc 0
50 mol 156 unq 7 iso 0 dist 7.96867 10.0792 6.2319 7.69314 7.26859 5.97294 numMergedOcc 0
51 mol 156 unq 8 iso 0 dist 7.96867 13.8503 9.97732 7.00982 9.54367 14.42 numMergedOcc 0
52 mol 156 unq 9 iso 0 dist 7.96867 13.8503 9.97732 7.69314 7.26859 6.53729 numMergedOcc 0
53 mol 158 unq 0 iso 0 dist 8.15524 14.6279 7.88319 10.1854 6.39981 6.63727 numMergedOcc 0
54 mol 188 unq 0 iso 0 dist 7.98533 6.33907 8.57261 7.47532 7.48284 12.0548 numMergedOcc 0
55 mol 189 unq 0 iso 0 dist 5.15305 6.67182 8.56355 5.79318 9.6013 10.3197 numMergedOcc 0
56 mol 189 unq 1 iso 0 dist 5.15305 6.67182 8.56355 4.88868 8.32712 11.3081 numMergedOcc 0
57 mol 204 unq 0 iso 0 dist 8.28297 7.37147 8.0144 13.1818 8.50907 14.8202 numMergedOcc 0
58 mol 204 unq 1 iso 0 dist 8.28297 13.1366 7.80841 13.1818 8.50907 7.0418 numMergedOcc 0
59 mol 205 unq 0 iso 0 dist 8.01082 4.87114 8.44861 7.13867 5.42696 8.66809 numMergedOcc 0
60 mol 205 unq 1 iso 0 dist 8.01082 9.43922 5.60393 7.13867 5.42696 6.23291 numMergedOcc 0
61 mol 214 unq 0 iso 0 dist 8.45863 11.4345 7.05523 5.23668 7.2498 7.62375 numMergedOcc 0
62 mol 214 unq 1 iso 0 dist 8.45863 7.3913 8.46327 5.23668 7.2498 10.7373 numMergedOcc 0
63 mol 225 unq 0 iso 0 dist 5.81013 7.08175 9.18895 6.50862 7.95883 9.60485 numMergedOcc 0
64 mol 230 unq 0 iso 0 dist 9.03723 11.958 9.09271 8.36854 8.85215 11.2344 numMergedOcc 0
65 mol 230 unq 1 iso 0 dist 9.03723 6.49467 7.44838 8.36854 8.85215 8.44099 numMergedOcc 0
66 mol 238 unq 0 iso 0 dist 6.52129 5.65307 5.52379 12.4402 7.61203 11.6239 numMergedOcc 0
67 mol 238 unq 1 iso 0 dist 6.52129 5.65307 5.52379 12.4266 9.47845 13.9614 numMergedOcc 0
68 mol 238 unq 2 iso 0 dist 6.52129 5.65307 5.52379 11.091 6.92409 12.3042 numMergedOcc 0
69 mol 238 unq 3 iso 0 dist 6.52129 5.65307 5.52379 10.4365 6.89694 5.54325 numMergedOcc 0
70 mol 248 unq 0 iso 0 dist 5.75155 6.63791 6.77954 5.28545 8.42446 5.59351 numMergedOcc 0
71 mol 252 unq 0 iso 0 dist 9.00798 6.57025 6.11473 6.15482 6.57207 4.23801 numMergedOcc 0
72 mol 261 unq 0 iso 0 dist 9.39571 6.42225 5.26434 13.3708 9.24121 7.49174 numMergedOcc 0
73 mol 261 unq 1 iso 0 dist 9.39571 11.0363 8.60026 13.3708 9.24121 5.22253 numMergedOcc 0
74 mol 277 unq 0 iso 0 dist 7.2551 5.61312 9.3936 6.4731 6.73126 6.21891 numMergedOcc 0
