0 mol 10 unq 0 iso 0 dist 5.59965 6.18431 3.92592 7.60549 9.85732 6.77807 13.3419 12.2404 8.56896 8.7908 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.98326 6.859 9.74251 6.76736 9.81983 9.89425 10.0282 6.51674 12.0683 6.83186 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 7.46578 6.859 6.56765 6.76736 13.0898 9.89425 10.0282 13.4086 12.0683 6.83186 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.72323 5.80953 10.0453 9.63925 14.8722 7.7447 7.85986 12.2839 11.1587 8.25818 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.74766 7.98985 12.5617 16.2325 20.9106 8.71074 14.2533 16.6204 7.18877 7.7485 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.78384 6.5551 4.53016 5.41884 9.21098 4.74254 7.63923 10.8598 7.19532 6.20144 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.03296 8.02443 3.81317 6.07693 6.2576 8.18375 8.84225 4.37918 6.49084 4.15789 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 5.82754 8.02443 4.08868 6.07693 8.96069 8.18375 8.84225 9.08423 6.49084 4.15789 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 8.87742 6.5551 13.1414 5.41884 13.2872 4.74254 7.63923 10.8556 7.19532 6.20144 numMergedOcc 0
9 mol 79 unq 4 iso 0 dist 8.87742 8.02443 6.06691 6.07693 7.56495 8.18375 8.84225 6.29733 6.49084 4.15789 numMergedOcc 0
10 mol 79 unq 5 iso 0 dist 9.26979 9.09458 3.81317 5.25584 6.2576 8.18375 6.72546 4.37918 6.49084 4.15789 numMergedOcc 0
11 mol 79 unq 6 iso 0 dist 9.05679 9.09458 4.08868 5.25584 8.96069 8.18375 6.72546 9.08423 6.49084 4.15789 numMergedOcc 0
12 mol 79 unq 7 iso 0 dist 4.93468 6.5551 6.0749 5.41884 7.38548 4.74254 7.63923 5.79629 7.19532 6.20144 numMergedOcc 0
13 mol 79 unq 8 iso 0 dist 4.93468 9.09458 6.06691 5.25584 7.56495 8.18375 6.72546 6.29733 6.49084 4.15789 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.66222 5.05893 11.0952 5.22259 9.07499 4.29937 8.04853 11.3242 3.65186 6.67137 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 9.66222 5.05893 11.0952 5.22259 9.07499 4.29937 11.3824 16.9784 12.2971 9.78707 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 9.66222 5.05893 11.0952 7.66499 10.671 5.37869 15.5788 13.9203 11.8779 9.09711 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 9.66222 5.05893 11.0952 7.66499 10.671 5.37869 8.04853 11.3242 3.65186 7.04244 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 9.66222 5.05893 11.0952 7.66499 10.671 5.37869 15.4163 16.3874 11.7094 7.91193 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 9.66222 5.05893 11.0952 7.66499 10.671 5.37869 14.0171 16.8995 10.0372 7.07839 numMergedOcc 0
20 mol 85 unq 6 iso 0 dist 9.66222 5.05893 11.0952 7.66499 10.671 5.37869 11.3824 16.9784 12.2971 9.63449 numMergedOcc 0
21 mol 85 unq 7 iso 0 dist 9.66222 5.71866 12.5181 5.22259 9.07499 3.65628 8.04853 11.3242 7.00044 6.67137 numMergedOcc 0
22 mol 85 unq 8 iso 0 dist 9.66222 5.71866 12.5181 5.22259 9.07499 3.65628 11.3824 16.9784 8.64367 9.78707 numMergedOcc 0
23 mol 85 unq 9 iso 0 dist 9.66222 5.71866 12.5181 7.66499 10.671 4.05415 15.5788 13.9203 12.4835 9.09711 numMergedOcc 0
24 mol 85 unq 10 iso 0 dist 9.66222 5.71866 12.5181 7.66499 10.671 4.05415 8.04853 11.3242 7.00044 7.04244 numMergedOcc 0
25 mol 85 unq 11 iso 0 dist 9.66222 5.71866 12.5181 7.66499 10.671 4.05415 15.4163 16.3874 10.7591 7.91193 numMergedOcc 0
26 mol 85 unq 12 iso 0 dist 9.66222 5.71866 12.5181 7.66499 10.671 4.05415 14.0171 16.8995 8.78995 7.07839 numMergedOcc 0
27 mol 85 unq 13 iso 0 dist 9.66222 5.71866 12.5181 7.66499 10.671 4.05415 11.3824 16.9784 8.64367 9.63449 numMergedOcc 0
28 mol 93 unq 0 iso 0 dist 8.74378 9.19977 11.7638 14.8662 20.4892 9.40687 20.3319 23.2895 13.6138 9.66837 numMergedOcc 0
29 mol 93 unq 1 iso 0 dist 8.89417 7.28831 11.7638 14.149 20.4892 9.40687 20.257 23.2895 13.6138 9.66837 numMergedOcc 0
30 mol 93 unq 2 iso 0 dist 9.95255 7.28831 5.93472 14.149 14.6178 9.40687 20.257 15.6301 13.6138 9.66837 numMergedOcc 0
31 mol 113 unq 0 iso 0 dist 6.6317 9.30645 9.74974 6.29259 10.6717 8.67025 7.40338 13.2601 9.59189 5.31126 numMergedOcc 0
32 mol 113 unq 1 iso 0 dist 6.6317 9.30645 9.74974 6.29259 10.6717 8.67025 10.4064 14.8479 10.1118 4.49669 numMergedOcc 0
33 mol 113 unq 2 iso 0 dist 6.6317 9.30645 9.74974 6.29259 10.6717 8.67025 11.5441 14.4715 8.19901 6.00221 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 5.87084 7.75314 6.11089 4.94367 8.47526 8.49847 7.84546 4.60864 6.95147 7.53342 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 6.1886 4.19371 4.002 3.7326 8.13022 4.45769 8.43182 13.0087 9.23342 5.10542 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 6.1886 4.19371 4.002 7.29209 9.82667 5.89939 8.43182 13.0087 9.23342 4.68722 numMergedOcc 0
37 mol 194 unq 2 iso 0 dist 6.1886 4.19371 4.002 7.29209 9.82667 5.89939 11.0347 14.3403 10.3782 5.18325 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 6.1886 9.71015 7.09553 3.7326 8.13022 8.99961 8.43182 13.0087 11.7699 5.10542 numMergedOcc 0
39 mol 194 unq 4 iso 0 dist 6.1886 9.71015 7.09553 7.29209 9.82667 8.18853 8.43182 13.0087 11.7699 4.68722 numMergedOcc 0
40 mol 194 unq 5 iso 0 dist 6.1886 9.71015 7.09553 7.29209 9.82667 8.18853 11.0347 14.3403 13.0759 5.18325 numMergedOcc 0
41 mol 260 unq 0 iso 0 dist 9.32954 6.75725 9.07649 3.60349 12.8322 8.51564 6.12343 9.82931 8.22506 7.04263 numMergedOcc 0
42 mol 260 unq 1 iso 0 dist 9.32954 6.75725 9.07649 3.60349 12.8322 8.51564 4.52405 9.36278 3.68866 6.48099 numMergedOcc 0
43 mol 260 unq 2 iso 0 dist 9.32954 9.31888 9.46408 7.28821 9.24869 7.49606 6.49413 4.07425 7.35802 8.62655 numMergedOcc 0
