0 mol 10 unq 0 iso 0 dist 6.18431 7.60549 6.77807 13.3419 8.56896 8.7908 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.859 6.76736 9.89425 10.0282 12.0683 6.83186 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.80953 9.63925 7.7447 7.85986 11.1587 8.25818 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 9.41017 9.01071 5.99655 16.1912 8.80559 9.2087 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 5.43693 3.57198 5.4713 5.53419 6.08836 3.77542 numMergedOcc 0
5 mol 46 unq 1 iso 0 dist 5.43693 3.57198 5.4713 13.1965 14.1986 9.97314 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.98985 16.2325 8.71074 14.2533 7.18877 7.7485 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.77077 3.94039 5.45099 10.7123 3.35924 7.66068 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.77077 5.61505 8.44765 10.7123 3.35924 9.5043 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 8.77077 8.43884 9.06643 10.7123 3.35924 8.34132 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 8.02443 6.07693 8.18375 8.84225 6.49084 4.15789 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 9.09458 5.25584 8.18375 6.72546 6.49084 4.15789 numMergedOcc 0
12 mol 79 unq 2 iso 0 dist 6.5551 5.41884 4.74254 7.63923 7.19532 6.20144 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 5.05893 5.22259 4.29937 8.04853 3.65186 6.67137 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 5.05893 5.22259 4.29937 11.3824 12.2971 9.78707 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 5.05893 7.66499 5.37869 14.0171 10.0372 7.07839 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 5.05893 7.66499 5.37869 8.04853 3.65186 7.04244 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 5.05893 7.66499 5.37869 15.5788 11.8779 9.09711 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 5.05893 7.66499 5.37869 15.4163 11.7094 7.91193 numMergedOcc 0
19 mol 85 unq 6 iso 0 dist 5.05893 7.66499 5.37869 11.3824 12.2971 9.63449 numMergedOcc 0
20 mol 85 unq 7 iso 0 dist 5.71866 5.22259 3.65628 8.04853 7.00044 6.67137 numMergedOcc 0
21 mol 85 unq 8 iso 0 dist 5.71866 5.22259 3.65628 11.3824 8.64367 9.78707 numMergedOcc 0
22 mol 85 unq 9 iso 0 dist 5.71866 7.66499 4.05415 14.0171 8.78995 7.07839 numMergedOcc 0
23 mol 85 unq 10 iso 0 dist 5.71866 7.66499 4.05415 8.04853 7.00044 7.04244 numMergedOcc 0
24 mol 85 unq 11 iso 0 dist 5.71866 7.66499 4.05415 15.5788 12.4835 9.09711 numMergedOcc 0
25 mol 85 unq 12 iso 0 dist 5.71866 7.66499 4.05415 15.4163 10.7591 7.91193 numMergedOcc 0
26 mol 85 unq 13 iso 0 dist 5.71866 7.66499 4.05415 11.3824 8.64367 9.63449 numMergedOcc 0
27 mol 93 unq 0 iso 0 dist 9.19977 14.8662 9.40687 20.3319 13.6138 9.66837 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 7.28831 14.149 9.40687 20.257 13.6138 9.66837 numMergedOcc 0
29 mol 93 unq 2 iso 0 dist 9.71411 6.48338 9.40687 11.4742 13.6138 9.66837 numMergedOcc 0
30 mol 107 unq 0 iso 0 dist 5.33764 8.49625 6.49371 10.5526 10.4294 8.88124 numMergedOcc 0
31 mol 107 unq 1 iso 0 dist 5.33764 8.49625 6.49371 7.89505 3.40943 8.19484 numMergedOcc 0
32 mol 113 unq 0 iso 0 dist 9.30645 6.29259 8.67025 7.40338 9.59189 5.31126 numMergedOcc 0
33 mol 113 unq 1 iso 0 dist 9.30645 6.29259 8.67025 10.4064 10.1118 4.49669 numMergedOcc 0
34 mol 113 unq 2 iso 0 dist 9.30645 6.29259 8.67025 11.5441 8.19901 6.00221 numMergedOcc 0
35 mol 131 unq 0 iso 0 dist 7.75314 4.94367 8.49847 7.84546 6.95147 7.53342 numMergedOcc 0
36 mol 168 unq 0 iso 0 dist 9.85438 7.27069 7.0961 11.1579 6.06538 5.86767 numMergedOcc 0
37 mol 168 unq 1 iso 0 dist 9.85438 7.27069 7.0961 11.4719 10.919 5.28353 numMergedOcc 0
38 mol 168 unq 2 iso 0 dist 9.42807 7.27069 8.21227 11.1579 9.99868 5.86767 numMergedOcc 0
39 mol 168 unq 3 iso 0 dist 9.42807 7.27069 8.21227 11.4719 6.91388 5.28353 numMergedOcc 0
40 mol 169 unq 0 iso 0 dist 6.0859 5.68902 9.06172 9.57683 13.5169 6.96715 numMergedOcc 0
41 mol 169 unq 1 iso 0 dist 9.15283 3.83687 9.06172 5.41121 13.5169 6.96715 numMergedOcc 0
42 mol 169 unq 2 iso 0 dist 6.05009 5.68902 8.93091 9.57683 14.673 6.96715 numMergedOcc 0
43 mol 186 unq 0 iso 0 dist 9.45907 14.2269 8.17928 13.2736 4.79079 4.87942 numMergedOcc 0
44 mol 186 unq 1 iso 0 dist 9.45907 14.2269 8.17928 8.72743 3.60793 7.25595 numMergedOcc 0
45 mol 194 unq 0 iso 0 dist 4.19371 3.7326 4.45769 8.43182 9.23342 5.10542 numMergedOcc 0
46 mol 194 unq 1 iso 0 dist 4.19371 7.29209 5.89939 8.43182 9.23342 4.68722 numMergedOcc 0
47 mol 194 unq 2 iso 0 dist 4.19371 7.29209 5.89939 11.0347 10.3782 5.18325 numMergedOcc 0
48 mol 194 unq 3 iso 0 dist 9.71015 3.7326 8.99961 8.43182 11.7699 5.10542 numMergedOcc 0
49 mol 194 unq 4 iso 0 dist 9.71015 7.29209 8.18853 8.43182 11.7699 4.68722 numMergedOcc 0
50 mol 194 unq 5 iso 0 dist 9.71015 7.29209 8.18853 11.0347 13.0759 5.18325 numMergedOcc 0
51 mol 194 unq 6 iso 0 dist 9.32959 9.87573 6.68939 10.9961 5.43825 9.55626 numMergedOcc 0
52 mol 194 unq 7 iso 0 dist 8.64056 6.97562 6.68939 12.7545 5.43825 9.55626 numMergedOcc 0
53 mol 214 unq 0 iso 0 dist 5.31416 6.28944 9.59928 5.05626 3.14057 8.66082 numMergedOcc 0
54 mol 214 unq 1 iso 0 dist 5.31416 6.28944 9.59928 8.41013 8.88633 7.96338 numMergedOcc 0
55 mol 214 unq 2 iso 0 dist 5.44533 6.28944 7.70062 5.05626 7.87816 8.66082 numMergedOcc 0
56 mol 214 unq 3 iso 0 dist 5.44533 6.28944 7.70062 8.41013 3.64285 7.96338 numMergedOcc 0
57 mol 214 unq 4 iso 0 dist 5.44533 7.23583 7.66702 8.41013 3.64285 7.42759 numMergedOcc 0
58 mol 260 unq 0 iso 0 dist 6.75725 3.60349 8.51564 6.12343 8.22506 7.04263 numMergedOcc 0
59 mol 260 unq 1 iso 0 dist 6.75725 3.60349 8.51564 4.52405 3.68866 6.48099 numMergedOcc 0
60 mol 260 unq 2 iso 0 dist 9.31888 7.28821 7.49606 6.49413 7.35802 8.62655 numMergedOcc 0
