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1 mol 0 unq 1 iso 0 dist 6.26831 7.40865 5.73813 10.3034 7.48645 12.9702 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 10.789 9.55056 13.6379 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 5.72491 8.72114 10.1959 10.515 7.45262 9.97624 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 7.88043 5.99972 7.25346 12.2708 9.55056 15.5696 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 7.88043 5.99972 7.25346 6.06176 7.45262 10.6471 numMergedOcc 0
6 mol 7 unq 4 iso 0 dist 8.80762 5.99972 10.0658 12.2708 7.57354 15.5696 numMergedOcc 0
7 mol 7 unq 5 iso 0 dist 8.80762 5.99972 10.0658 6.06176 6.96586 10.6471 numMergedOcc 0
8 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 13.7792 8.94096 14.4294 numMergedOcc 0
9 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 15.4959 9.07858 11.4415 numMergedOcc 0
10 mol 8 unq 2 iso 0 dist 7.3915 8.53529 5.65816 12.8924 8.94096 14.4294 numMergedOcc 0
11 mol 8 unq 3 iso 0 dist 7.3915 8.53529 5.65816 4.85329 9.07858 11.4415 numMergedOcc 0
12 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 13.5628 9.82483 11.6997 numMergedOcc 0
13 mol 9 unq 1 iso 0 dist 9.78006 9.62394 7.28672 5.60154 8.04924 9.57198 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 5.39241 8.62284 13.2857 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 6.6492 7.45383 11.7817 4.70708 8.5404 10.7875 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 6.6492 9.01548 9.12941 4.70708 8.5404 6.63839 numMergedOcc 0
17 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 4.74747 7.61055 7.3022 numMergedOcc 0
18 mol 44 unq 0 iso 0 dist 7.52117 9.6782 5.1728 5.87283 9.17518 13.4333 numMergedOcc 0
19 mol 44 unq 1 iso 0 dist 7.52117 9.6782 5.1728 10.6223 8.21833 13.2979 numMergedOcc 0
20 mol 56 unq 0 iso 0 dist 6.77886 7.16773 8.25666 10.9467 5.86571 12.9373 numMergedOcc 0
21 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 12.3813 9.20197 14.3836 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 6.34525 6.84011 8.51024 5.31367 8.06525 8.809 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 6.35763 9.87025 11.1099 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 7.99857 9.11344 6.96805 7.36192 5.85818 11.8717 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 8.56342 6.52773 6.96805 10.0197 9.87025 11.1099 numMergedOcc 0
26 mol 119 unq 3 iso 0 dist 8.56342 6.52773 6.96805 10.6679 5.85818 11.8717 numMergedOcc 0
27 mol 119 unq 4 iso 0 dist 8.56342 9.23858 13.3975 10.0197 9.87025 18.7646 numMergedOcc 0
28 mol 119 unq 5 iso 0 dist 8.56342 9.23858 13.3975 10.6679 5.85818 15.8603 numMergedOcc 0
29 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 7.00551 9.39683 10.9721 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 7.00551 9.39683 14.9787 numMergedOcc 0
31 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 5.44503 6.40901 13.204 numMergedOcc 0
32 mol 143 unq 1 iso 0 dist 8.41611 8.91301 15.0315 5.44503 6.40901 13.8861 numMergedOcc 0
33 mol 143 unq 2 iso 0 dist 7.63338 7.78652 11.5146 6.01455 8.1582 6.46089 numMergedOcc 0
34 mol 143 unq 3 iso 0 dist 7.63338 7.78652 11.5146 5.44503 9.40626 13.204 numMergedOcc 0
35 mol 143 unq 4 iso 0 dist 7.63338 8.91301 13.434 6.01455 8.1582 10.1154 numMergedOcc 0
36 mol 143 unq 5 iso 0 dist 7.63338 8.91301 13.434 5.44503 9.40626 13.8861 numMergedOcc 0
37 mol 143 unq 6 iso 0 dist 7.25673 7.78652 6.60479 6.01455 7.88655 6.46089 numMergedOcc 0
38 mol 143 unq 7 iso 0 dist 7.25673 8.91301 7.54337 6.01455 7.88655 10.1154 numMergedOcc 0
39 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 10.2478 8.12589 8.73468 numMergedOcc 0
40 mol 148 unq 1 iso 0 dist 9.74542 6.22055 7.89336 10.2478 8.12589 9.73927 numMergedOcc 0
41 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 10.2318 8.11592 8.73558 numMergedOcc 0
42 mol 150 unq 1 iso 0 dist 9.6606 6.14675 7.86976 10.2318 8.11592 9.66129 numMergedOcc 0
43 mol 150 unq 2 iso 0 dist 9.6606 9.24244 11.8012 10.2318 8.11592 12.6576 numMergedOcc 0
44 mol 156 unq 0 iso 0 dist 7.73169 7.30357 8.40261 5.07967 7.04913 7.30946 numMergedOcc 0
45 mol 156 unq 1 iso 0 dist 7.73169 8.61587 12.8796 5.07967 7.04913 11.3161 numMergedOcc 0
46 mol 159 unq 0 iso 0 dist 7.25742 9.17787 10.3427 4.57561 7.13269 10.4588 numMergedOcc 0
47 mol 159 unq 1 iso 0 dist 7.25742 8.4858 7.97232 4.57561 7.13269 5.9032 numMergedOcc 0
48 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.08908 5.73148 10.4506 numMergedOcc 0
49 mol 171 unq 1 iso 0 dist 7.71426 8.1344 5.90358 8.08908 5.73148 10.7861 numMergedOcc 0
50 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 6.05805 5.73148 10.4506 numMergedOcc 0
51 mol 171 unq 3 iso 0 dist 5.10618 6.71356 5.90358 6.05805 5.73148 10.7861 numMergedOcc 0
52 mol 175 unq 0 iso 0 dist 7.35824 9.39352 10.3786 11.1651 7.01126 16.3661 numMergedOcc 0
53 mol 175 unq 1 iso 0 dist 9.17364 9.39352 11.9672 11.1651 6.58434 16.3661 numMergedOcc 0
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55 mol 181 unq 1 iso 0 dist 6.51749 8.90963 13.0913 10.0524 9.52987 15.9219 numMergedOcc 0
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57 mol 188 unq 0 iso 0 dist 8.57261 7.14503 5.0782 12.0548 7.48284 11.4648 numMergedOcc 0
58 mol 188 unq 1 iso 0 dist 8.57261 8.10214 5.87427 12.0548 7.48284 9.33696 numMergedOcc 0
59 mol 192 unq 0 iso 0 dist 7.24199 8.77999 3.86183 5.71262 8.53433 7.33225 numMergedOcc 0
60 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 15.9311 9.77862 11.6497 numMergedOcc 0
61 mol 194 unq 1 iso 0 dist 8.83356 8.29382 12.361 5.38925 9.77862 13.132 numMergedOcc 0
62 mol 194 unq 2 iso 0 dist 8.83356 6.72379 7.50057 5.38925 9.77862 9.3402 numMergedOcc 0
63 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 13.6975 9.79691 14.0228 numMergedOcc 0
64 mol 195 unq 1 iso 0 dist 6.60567 6.95086 6.74112 13.6975 9.79691 15.1755 numMergedOcc 0
65 mol 195 unq 2 iso 0 dist 7.62942 9.26504 6.0634 6.08211 9.79691 14.0228 numMergedOcc 0
66 mol 198 unq 0 iso 0 dist 8.10985 6.34616 9.86517 12.2117 8.15936 16.7877 numMergedOcc 0
67 mol 198 unq 1 iso 0 dist 8.10985 6.34616 9.86517 10.8191 8.16598 15.2254 numMergedOcc 0
68 mol 205 unq 0 iso 0 dist 5.60393 5.44002 8.46033 6.23291 5.42696 10.5073 numMergedOcc 0
69 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 6.43754 7.1372 12.2922 numMergedOcc 0
70 mol 227 unq 1 iso 0 dist 8.03442 5.41321 4.59123 6.43754 7.1372 7.57454 numMergedOcc 0
71 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 13.0842 9.42618 6.87131 numMergedOcc 0
72 mol 238 unq 1 iso 0 dist 6.66971 8.69104 10.2777 13.0842 9.42618 9.69818 numMergedOcc 0
73 mol 238 unq 2 iso 0 dist 7.32982 9.24557 4.77308 8.85181 9.42618 6.87131 numMergedOcc 0
74 mol 238 unq 3 iso 0 dist 5.52379 7.10685 5.83386 11.6239 7.61203 13.0987 numMergedOcc 0
75 mol 238 unq 4 iso 0 dist 5.52379 7.10685 5.83386 13.9614 9.47845 14.4678 numMergedOcc 0
76 mol 238 unq 5 iso 0 dist 5.52379 7.10685 5.83386 12.3042 6.92409 10.6749 numMergedOcc 0
77 mol 238 unq 6 iso 0 dist 5.52379 7.10685 5.83386 5.54325 6.89694 10.1326 numMergedOcc 0
78 mol 240 unq 0 iso 0 dist 9.47583 6.68687 15.5587 10.7371 8.33853 17.0428 numMergedOcc 0
79 mol 240 unq 1 iso 0 dist 9.47583 6.68687 15.5587 13.9225 5.66537 20.2034 numMergedOcc 0
80 mol 259 unq 0 iso 0 dist 8.55558 7.08526 6.31909 5.79468 6.39918 8.71497 numMergedOcc 0
81 mol 279 unq 0 iso 0 dist 6.43341 9.09855 5.89415 7.18967 8.23056 12.8413 numMergedOcc 0
