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1 mol 8 unq 0 iso 1 dist 6.24978 6.94408 6.82379 5.61772 8.77457 4.94497 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.82379 11.2508 9.66439 4.94497 8.77457 10.4848 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 9.66439 11.2508 6.82379 10.4848 8.77457 4.94497 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 6.82379 12.4076 7.3915 4.94497 8.77457 14.1378 numMergedOcc 0
5 mol 8 unq 2 iso 1 dist 7.3915 12.4076 6.82379 14.1378 8.77457 4.94497 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 6.24978 5.3787 9.66439 5.61772 8.77457 10.4848 numMergedOcc 0
7 mol 8 unq 1 iso 1 dist 9.66439 5.3787 6.24978 10.4848 8.77457 5.61772 numMergedOcc 0
8 mol 8 unq 2 iso 0 dist 6.24978 9.22548 7.3915 5.61772 8.77457 14.1378 numMergedOcc 0
9 mol 8 unq 2 iso 1 dist 7.3915 9.22548 6.24978 14.1378 8.77457 5.61772 numMergedOcc 0
10 mol 8 unq 2 iso 0 dist 9.66439 7.96511 7.3915 10.4848 8.77457 14.1378 numMergedOcc 0
11 mol 8 unq 2 iso 1 dist 7.3915 7.96511 9.66439 14.1378 8.77457 10.4848 numMergedOcc 0
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15 mol 13 unq 0 iso 1 dist 6.26071 5.94592 5.78148 8.87621 7.98679 4.56335 numMergedOcc 0
16 mol 13 unq 1 iso 0 dist 5.78148 10.8906 8.43325 4.56335 7.98679 12.9999 numMergedOcc 0
17 mol 13 unq 1 iso 1 dist 8.43325 10.8906 5.78148 12.9999 7.98679 4.56335 numMergedOcc 0
18 mol 13 unq 1 iso 0 dist 6.26071 5.43688 8.43325 8.87621 7.98679 12.9999 numMergedOcc 0
19 mol 13 unq 1 iso 1 dist 8.43325 5.43688 6.26071 12.9999 7.98679 8.87621 numMergedOcc 0
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23 mol 19 unq 1 iso 1 dist 6.36455 10.6598 7.48847 6.01808 6.39966 6.42867 numMergedOcc 0
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25 mol 19 unq 1 iso 1 dist 6.36455 5.03957 6.92532 6.01808 6.39966 4.97119 numMergedOcc 0
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27 mol 24 unq 0 iso 1 dist 7.83786 7.05502 6.60423 9.6469 9.69752 4.32034 numMergedOcc 0
28 mol 24 unq 1 iso 0 dist 6.60423 7.05502 7.83786 8.52463 9.36461 14.6654 numMergedOcc 0
29 mol 24 unq 1 iso 1 dist 7.83786 7.05502 6.60423 14.6654 9.36461 8.52463 numMergedOcc 0
30 mol 24 unq 2 iso 0 dist 4.93188 12.3067 9.24958 5.11617 4.90592 13.2229 numMergedOcc 0
31 mol 24 unq 2 iso 1 dist 9.24958 12.3067 4.93188 13.2229 4.90592 5.11617 numMergedOcc 0
32 mol 24 unq 3 iso 0 dist 4.93188 12.3067 9.24958 10.8238 8.16324 6.7828 numMergedOcc 0
33 mol 24 unq 3 iso 1 dist 9.24958 12.3067 4.93188 6.7828 8.16324 10.8238 numMergedOcc 0
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35 mol 60 unq 0 iso 1 dist 7.55695 7.29309 9.96399 5.94827 4.65127 11.2415 numMergedOcc 0
36 mol 60 unq 1 iso 0 dist 9.96399 12.2509 8.82176 11.2415 4.65127 5.32257 numMergedOcc 0
37 mol 60 unq 1 iso 1 dist 8.82176 12.2509 9.96399 5.32257 4.65127 11.2415 numMergedOcc 0
38 mol 60 unq 1 iso 0 dist 7.55695 5.00018 8.82176 5.94827 4.65127 5.32257 numMergedOcc 0
39 mol 60 unq 1 iso 1 dist 8.82176 5.00018 7.55695 5.32257 4.65127 5.94827 numMergedOcc 0
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41 mol 73 unq 0 iso 1 dist 8.73253 5.4148 7.04044 6.56633 6.48232 5.11416 numMergedOcc 0
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43 mol 85 unq 0 iso 1 dist 7.1589 4.26409 8.00777 9.29301 8.70863 11.165 numMergedOcc 0
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45 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 8.96224 7.62611 4.4022 numMergedOcc 0
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47 mol 93 unq 1 iso 1 dist 9.4523 9.91939 9.81831 10.3849 7.62611 4.4022 numMergedOcc 0
48 mol 93 unq 1 iso 0 dist 9.12858 7.66728 9.4523 8.96224 7.62611 10.3849 numMergedOcc 0
49 mol 93 unq 1 iso 1 dist 9.4523 7.66728 9.12858 10.3849 7.62611 8.96224 numMergedOcc 0
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51 mol 98 unq 0 iso 1 dist 7.89665 4.50554 5.88354 6.6076 6.62972 4.67519 numMergedOcc 0
52 mol 98 unq 1 iso 0 dist 5.88354 7.40461 5.39354 4.67519 6.62972 10.6513 numMergedOcc 0
53 mol 98 unq 1 iso 1 dist 5.39354 7.40461 5.88354 10.6513 6.62972 4.67519 numMergedOcc 0
54 mol 98 unq 2 iso 0 dist 5.88354 7.72877 5.74854 4.67519 6.62972 10.4027 numMergedOcc 0
55 mol 98 unq 2 iso 1 dist 5.74854 7.72877 5.88354 10.4027 6.62972 4.67519 numMergedOcc 0
56 mol 98 unq 3 iso 0 dist 5.88354 10.51 8.76566 4.67519 6.62972 12.3568 numMergedOcc 0
57 mol 98 unq 3 iso 1 dist 8.76566 10.51 5.88354 12.3568 6.62972 4.67519 numMergedOcc 0
58 mol 98 unq 4 iso 0 dist 5.88354 13.5683 8.8368 4.67519 6.62972 14.5457 numMergedOcc 0
59 mol 98 unq 4 iso 1 dist 8.8368 13.5683 5.88354 14.5457 6.62972 4.67519 numMergedOcc 0
60 mol 98 unq 1 iso 0 dist 7.89665 8.49023 5.39354 6.6076 6.62972 10.6513 numMergedOcc 0
61 mol 98 unq 1 iso 1 dist 5.39354 8.49023 7.89665 10.6513 6.62972 6.6076 numMergedOcc 0
62 mol 98 unq 2 iso 0 dist 7.89665 11.0242 5.74854 6.6076 6.62972 10.4027 numMergedOcc 0
63 mol 98 unq 2 iso 1 dist 5.74854 11.0242 7.89665 10.4027 6.62972 6.6076 numMergedOcc 0
64 mol 98 unq 3 iso 0 dist 7.89665 8.16331 8.76566 6.6076 6.62972 12.3568 numMergedOcc 0
65 mol 98 unq 3 iso 1 dist 8.76566 8.16331 7.89665 12.3568 6.62972 6.6076 numMergedOcc 0
66 mol 98 unq 4 iso 0 dist 7.89665 13.0697 8.8368 6.6076 6.62972 14.5457 numMergedOcc 0
67 mol 98 unq 4 iso 1 dist 8.8368 13.0697 7.89665 14.5457 6.62972 6.6076 numMergedOcc 0
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69 mol 98 unq 2 iso 1 dist 5.74854 5.09649 5.39354 10.4027 6.62972 10.6513 numMergedOcc 0
70 mol 98 unq 3 iso 0 dist 5.39354 7.17023 8.76566 10.6513 6.62972 12.3568 numMergedOcc 0
71 mol 98 unq 3 iso 1 dist 8.76566 7.17023 5.39354 12.3568 6.62972 10.6513 numMergedOcc 0
72 mol 98 unq 4 iso 0 dist 5.39354 8.31884 8.8368 10.6513 6.62972 14.5457 numMergedOcc 0
73 mol 98 unq 4 iso 1 dist 8.8368 8.31884 5.39354 14.5457 6.62972 10.6513 numMergedOcc 0
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