0 mol 24 unq 0 iso 0 dist 6.72323 6.61696 4.08755 7.85986 12.2839 9.24731 9.63925 14.8722 13.302 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.72323 5.80953 10.0453 7.85986 12.2839 11.1587 9.63925 14.8722 7.7447 8.25818 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.29857 6.03404 9.02536 5.7836 3.50984 6.71583 6.17529 6.28603 10.7691 5.54472 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.29857 6.03404 9.02536 5.7836 3.50984 6.71583 9.78584 8.80303 14.4376 8.62369 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.29857 6.03404 9.02536 5.7836 3.50984 6.71583 11.505 7.11491 12.3189 6.5241 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.29857 6.03404 9.02536 7.32996 11.7253 3.34853 13.357 18.1071 11.3096 8.0812 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 8.19993 6.07052 9.12073 5.82264 3.65036 6.77378 6.30002 5.73454 10.7539 5.37439 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 8.19993 6.07052 9.12073 5.82264 3.65036 6.77378 9.72383 8.2012 14.3033 8.3714 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 8.19993 6.07052 9.12073 5.82264 3.65036 6.77378 11.5388 7.1829 12.2099 6.36817 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 8.19993 6.07052 9.12073 7.20729 11.7978 3.3785 10.8889 16.5041 11.3818 8.65524 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 8.19993 6.07052 9.12073 7.20729 11.7978 3.3785 13.697 18.3648 11.456 8.22812 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.78384 9.77084 3.99035 7.56495 13.2204 11.5615 6.29733 13.6707 13.1717 4.15789 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 9.78384 9.77084 3.99035 7.63923 10.8598 10.6375 5.41884 9.21098 10.8282 6.20144 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 9.78384 9.77084 3.99035 7.63923 10.8598 10.6375 6.29733 13.6707 13.1717 4.808 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 9.78384 6.5551 4.53016 7.56495 13.2204 10.2908 6.29733 13.6707 9.73588 4.15789 numMergedOcc 0
15 mol 79 unq 4 iso 0 dist 9.78384 6.5551 4.53016 7.63923 10.8598 7.19532 5.41884 9.21098 4.74254 6.20144 numMergedOcc 0
16 mol 79 unq 5 iso 0 dist 9.78384 6.5551 4.53016 7.63923 10.8598 7.19532 6.29733 13.6707 9.73588 4.808 numMergedOcc 0
17 mol 79 unq 6 iso 0 dist 8.03296 8.02443 3.81317 8.84225 4.37918 6.49084 6.07693 6.2576 8.18375 4.15789 numMergedOcc 0
18 mol 79 unq 7 iso 0 dist 8.03296 8.02443 3.81317 8.84225 4.37918 6.49084 10.8556 9.11841 10.6844 4.808 numMergedOcc 0
19 mol 79 unq 8 iso 0 dist 5.82754 8.02443 4.08868 8.84225 9.08423 6.49084 6.07693 8.96069 8.18375 4.15789 numMergedOcc 0
20 mol 79 unq 9 iso 0 dist 5.82754 8.02443 4.08868 8.84225 9.08423 6.49084 10.8556 12.5055 10.6844 4.808 numMergedOcc 0
21 mol 79 unq 10 iso 0 dist 8.87742 9.77084 12.2375 7.56495 6.07693 11.5615 6.29733 8.84225 13.1717 4.15789 numMergedOcc 0
22 mol 79 unq 11 iso 0 dist 8.87742 9.77084 12.2375 7.63923 10.8556 10.6375 5.41884 13.2872 10.8282 6.20144 numMergedOcc 0
23 mol 79 unq 12 iso 0 dist 8.87742 9.77084 12.2375 7.63923 10.8556 10.6375 6.29733 8.84225 13.1717 4.808 numMergedOcc 0
24 mol 79 unq 13 iso 0 dist 8.87742 6.5551 13.1414 7.56495 6.07693 10.2908 6.29733 8.84225 9.73588 4.15789 numMergedOcc 0
25 mol 79 unq 14 iso 0 dist 8.87742 6.5551 13.1414 7.63923 10.8556 7.19532 5.41884 13.2872 4.74254 6.20144 numMergedOcc 0
26 mol 79 unq 15 iso 0 dist 8.87742 6.5551 13.1414 7.63923 10.8556 7.19532 6.29733 8.84225 9.73588 4.808 numMergedOcc 0
27 mol 79 unq 16 iso 0 dist 8.87742 8.02443 6.06691 8.84225 6.29733 6.49084 6.07693 7.56495 8.18375 4.15789 numMergedOcc 0
28 mol 79 unq 17 iso 0 dist 8.87742 8.02443 6.06691 8.84225 6.29733 6.49084 10.8556 7.63923 10.6844 4.808 numMergedOcc 0
29 mol 79 unq 18 iso 0 dist 9.26979 9.09458 3.81317 7.38548 10.3746 10.0358 5.79629 9.11841 10.6844 6.20144 numMergedOcc 0
30 mol 79 unq 19 iso 0 dist 9.26979 9.09458 3.81317 6.72546 4.37918 6.49084 5.25584 6.2576 8.18375 4.15789 numMergedOcc 0
31 mol 79 unq 20 iso 0 dist 9.26979 9.09458 3.81317 6.72546 4.37918 6.49084 5.79629 9.11841 10.6844 4.808 numMergedOcc 0
32 mol 79 unq 21 iso 0 dist 9.05679 9.09458 4.08868 7.38548 12.3366 10.0358 5.79629 12.5055 10.6844 6.20144 numMergedOcc 0
33 mol 79 unq 22 iso 0 dist 9.05679 9.09458 4.08868 6.72546 9.08423 6.49084 5.25584 8.96069 8.18375 4.15789 numMergedOcc 0
34 mol 79 unq 23 iso 0 dist 9.05679 9.09458 4.08868 6.72546 9.08423 6.49084 5.79629 12.5055 10.6844 4.808 numMergedOcc 0
35 mol 79 unq 24 iso 0 dist 4.93468 9.77084 6.69352 7.56495 5.25584 11.5615 6.29733 6.72546 13.1717 4.15789 numMergedOcc 0
36 mol 79 unq 25 iso 0 dist 4.93468 9.77084 6.69352 7.63923 5.79629 10.6375 5.41884 7.38548 10.8282 6.20144 numMergedOcc 0
37 mol 79 unq 26 iso 0 dist 4.93468 9.77084 6.69352 7.63923 5.79629 10.6375 6.29733 6.72546 13.1717 4.808 numMergedOcc 0
38 mol 79 unq 27 iso 0 dist 4.93468 6.5551 6.0749 7.56495 5.25584 10.2908 6.29733 6.72546 9.73588 4.15789 numMergedOcc 0
39 mol 79 unq 28 iso 0 dist 4.93468 6.5551 6.0749 7.63923 5.79629 7.19532 5.41884 7.38548 4.74254 6.20144 numMergedOcc 0
40 mol 79 unq 29 iso 0 dist 4.93468 6.5551 6.0749 7.63923 5.79629 7.19532 6.29733 6.72546 9.73588 4.808 numMergedOcc 0
41 mol 79 unq 30 iso 0 dist 4.93468 9.09458 6.06691 7.38548 5.41884 10.0358 5.79629 7.63923 10.6844 6.20144 numMergedOcc 0
42 mol 79 unq 31 iso 0 dist 4.93468 9.09458 6.06691 6.72546 6.29733 6.49084 5.25584 7.56495 8.18375 4.15789 numMergedOcc 0
43 mol 79 unq 32 iso 0 dist 4.93468 9.09458 6.06691 6.72546 6.29733 6.49084 5.79629 7.63923 10.6844 4.808 numMergedOcc 0
44 mol 85 unq 0 iso 0 dist 9.66222 5.05893 11.0952 8.04853 11.3242 3.65186 5.22259 9.07499 4.29937 6.67137 numMergedOcc 0
45 mol 85 unq 1 iso 0 dist 9.66222 5.05893 11.0952 8.04853 11.3242 3.65186 7.66499 10.671 5.37869 7.04244 numMergedOcc 0
46 mol 85 unq 2 iso 0 dist 9.66222 5.71866 12.5181 8.04853 11.3242 7.00044 5.22259 9.07499 3.65628 6.67137 numMergedOcc 0
47 mol 85 unq 3 iso 0 dist 9.66222 5.71866 12.5181 8.04853 11.3242 7.00044 7.66499 10.671 4.05415 7.04244 numMergedOcc 0
48 mol 93 unq 0 iso 0 dist 8.74378 9.19977 11.7638 5.56839 5.90646 13.1331 5.01255 10.6633 14.057 5.20429 numMergedOcc 0
49 mol 93 unq 1 iso 0 dist 8.74378 9.19977 11.7638 5.56839 5.90646 13.1331 9.11323 12.3732 15.797 8.71366 numMergedOcc 0
50 mol 93 unq 2 iso 0 dist 8.89417 7.28831 11.7638 7.83506 5.90646 13.1331 8.98901 10.6633 14.057 5.20429 numMergedOcc 0
51 mol 93 unq 3 iso 0 dist 8.89417 7.28831 11.7638 7.83506 5.90646 13.1331 8.52329 12.3732 15.797 8.71366 numMergedOcc 0
52 mol 93 unq 4 iso 0 dist 9.95255 7.28831 5.93472 7.83506 12.949 13.1331 8.98901 15.5723 14.057 5.20429 numMergedOcc 0
53 mol 93 unq 5 iso 0 dist 9.95255 7.28831 5.93472 7.83506 12.949 13.1331 8.52329 17.663 15.797 8.71366 numMergedOcc 0
54 mol 113 unq 0 iso 0 dist 6.6317 9.30645 9.74974 7.40338 13.2601 9.59189 6.29259 10.6717 8.67025 5.31126 numMergedOcc 0
55 mol 113 unq 1 iso 0 dist 6.6317 9.30645 9.74974 7.40338 13.2601 9.59189 7.08122 11.3323 11.1678 7.16619 numMergedOcc 0
56 mol 131 unq 0 iso 0 dist 5.87084 7.75314 6.11089 7.84546 4.60864 6.95147 4.94367 8.47526 8.49847 7.53342 numMergedOcc 0
57 mol 141 unq 0 iso 0 dist 9.83945 7.42144 16.2294 4.92382 13.8739 5.83839 3.80087 9.59109 9.5889 4.88514 numMergedOcc 0
58 mol 141 unq 1 iso 0 dist 9.83945 6.27658 15.9806 4.92382 13.8739 3.7404 3.80087 9.59109 8.03978 4.88514 numMergedOcc 0
59 mol 194 unq 0 iso 0 dist 6.1886 4.19371 4.002 8.43182 13.0087 9.23342 3.7326 8.13022 4.45769 5.10542 numMergedOcc 0
60 mol 194 unq 1 iso 0 dist 6.1886 4.19371 4.002 8.43182 13.0087 9.23342 7.29209 9.82667 5.89939 4.68722 numMergedOcc 0
61 mol 194 unq 2 iso 0 dist 6.1886 9.71015 7.09553 8.43182 13.0087 11.7699 3.7326 8.13022 8.99961 5.10542 numMergedOcc 0
62 mol 194 unq 3 iso 0 dist 6.1886 9.71015 7.09553 8.43182 13.0087 11.7699 7.29209 9.82667 8.18853 4.68722 numMergedOcc 0
63 mol 260 unq 0 iso 0 dist 9.32954 6.75725 9.07649 6.49413 4.07425 8.04546 7.28821 9.24869 11.8771 8.62655 numMergedOcc 0
64 mol 260 unq 1 iso 0 dist 9.32954 6.75725 9.07649 6.12343 9.82931 8.22506 3.60349 12.8322 8.51564 7.04263 numMergedOcc 0
65 mol 260 unq 2 iso 0 dist 9.32954 6.75725 9.07649 4.52405 9.36278 3.68866 3.60349 12.8322 8.51564 6.48099 numMergedOcc 0
66 mol 260 unq 3 iso 0 dist 9.32954 9.31888 9.46408 6.49413 4.07425 7.35802 7.28821 9.24869 7.49606 8.62655 numMergedOcc 0
67 mol 260 unq 4 iso 0 dist 9.32954 9.31888 9.46408 6.12343 9.82931 9.94995 3.60349 12.8322 11.5762 7.04263 numMergedOcc 0
68 mol 260 unq 5 iso 0 dist 9.32954 9.31888 9.46408 4.52405 9.36278 12.8784 3.60349 12.8322 11.5762 6.48099 numMergedOcc 0
