0 mol 0 unq 0 iso 0 dist 6.31889 5.14913 6.91778 11.903 9.15528 7.65806 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.8978 11.3797 9.62394 12.8762 9.5997 8.57077 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.26276 11.7623 9.62394 13.0231 9.5997 8.57077 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 10.2486 6.86684 4.61088 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 5.19544 7.63656 7.07399 8.72187 4.29582 8.38064 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 7.05148 6.17631 8.6653 9.87281 5.64303 7.31767 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 7.05148 6.17631 8.6653 7.63928 5.82503 6.03987 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 7.05148 5.59268 7.92503 10.5993 6.11127 7.57578 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 7.05148 5.59268 7.92503 8.88413 5.30154 7.17969 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 4.38047 6.76462 6.14538 5.97635 4.29856 6.83299 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 8.85981 10.8619 7.16773 15.2938 6.63327 8.66265 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 9.01612 10.2049 6.86465 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 5.84625 5.40367 8.80614 6.36193 9.95364 6.62496 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 5.84625 5.40367 8.80614 4.88613 5.49591 6.35756 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 6.94677 8.42799 9.25641 14.5113 13.5488 6.65721 numMergedOcc 0
15 mol 64 unq 0 iso 0 dist 6.23138 4.96726 9.97159 8.99491 6.21578 9.67592 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 9.18898 4.52119 6.95572 11.8917 9.50382 7.4729 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 9.18898 4.52119 6.95572 9.79361 7.56363 6.82344 numMergedOcc 0
18 mol 92 unq 2 iso 0 dist 7.67331 4.52119 7.38677 11.8917 12.7565 7.4729 numMergedOcc 0
19 mol 92 unq 3 iso 0 dist 7.67331 4.52119 7.38677 9.79361 5.91004 6.82344 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 9.49995 5.69671 9.49454 12.5791 13.3662 9.03572 numMergedOcc 0
21 mol 95 unq 1 iso 0 dist 9.49995 5.69671 9.49454 13.9545 12.0666 8.83255 numMergedOcc 0
22 mol 95 unq 2 iso 0 dist 9.49995 5.69671 9.49454 9.65047 11.4333 8.03644 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 12.3884 7.06961 5.08437 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 5.94696 7.1452 4.47349 12.3884 7.06961 6.10456 numMergedOcc 0
25 mol 113 unq 0 iso 0 dist 5.37302 14.0364 9.66219 10.783 8.42718 5.86073 numMergedOcc 0
26 mol 113 unq 1 iso 0 dist 9.66068 16.3524 8.8822 15.1632 10.1816 5.86073 numMergedOcc 0
27 mol 113 unq 2 iso 0 dist 8.03783 16.3524 9.66219 15.1632 8.42718 5.86073 numMergedOcc 0
28 mol 113 unq 3 iso 0 dist 8.47541 12.1308 9.66219 11.0486 8.42718 5.86073 numMergedOcc 0
29 mol 114 unq 0 iso 0 dist 8.96382 8.14567 6.84011 12.7833 7.436 7.5732 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 9.34823 5.3154 6.73586 6.18763 5.13589 6.18601 numMergedOcc 0
31 mol 126 unq 0 iso 0 dist 8.97111 4.84035 6.30546 8.32241 6.0268 6.06638 numMergedOcc 0
32 mol 129 unq 0 iso 0 dist 9.86988 7.59962 7.58957 13.8631 5.68211 9.61051 numMergedOcc 0
33 mol 129 unq 1 iso 0 dist 9.86988 7.59962 7.58957 12.5845 10.5488 5.83384 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 8.6561 10.0114 9.97654 10.3751 4.34568 9.91388 numMergedOcc 0
35 mol 133 unq 1 iso 0 dist 8.6561 7.36833 6.66772 13.1045 7.12976 6.5107 numMergedOcc 0
36 mol 133 unq 2 iso 0 dist 8.6561 7.36833 6.66772 10.3751 4.34568 9.52634 numMergedOcc 0
37 mol 133 unq 3 iso 0 dist 8.6561 5.27217 7.71248 10.3751 4.34568 7.24514 numMergedOcc 0
38 mol 133 unq 4 iso 0 dist 8.6561 5.27217 7.71248 13.2491 10.6025 8.22656 numMergedOcc 0
39 mol 133 unq 5 iso 0 dist 6.16862 12.7925 9.22232 18.2779 16.0138 7.11802 numMergedOcc 0
40 mol 133 unq 6 iso 0 dist 9.70325 15.4258 9.22232 20.1948 16.0138 7.11802 numMergedOcc 0
41 mol 133 unq 7 iso 0 dist 9.04845 14.5617 6.16242 11.3707 4.54648 6.29155 numMergedOcc 0
42 mol 133 unq 8 iso 0 dist 9.04845 13.7612 5.87634 11.3707 4.54648 6.80239 numMergedOcc 0
43 mol 133 unq 9 iso 0 dist 7.94325 11.4104 6.16242 11.8159 4.54648 6.29155 numMergedOcc 0
44 mol 133 unq 10 iso 0 dist 7.94325 12.9605 5.87634 11.8159 4.54648 6.80239 numMergedOcc 0
45 mol 133 unq 11 iso 0 dist 6.72323 10.2385 6.16242 5.82404 4.54648 6.29155 numMergedOcc 0
46 mol 133 unq 12 iso 0 dist 6.72323 4.64588 5.87634 5.82404 4.54648 6.80239 numMergedOcc 0
47 mol 133 unq 13 iso 0 dist 6.42904 6.26797 9.22661 5.86531 5.92062 7.11802 numMergedOcc 0
48 mol 133 unq 14 iso 0 dist 7.31633 5.36939 7.56378 10.8427 6.61891 7.11802 numMergedOcc 0
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50 mol 170 unq 0 iso 0 dist 9.53158 7.71028 6.35982 13.6682 4.34698 9.76807 numMergedOcc 0
51 mol 181 unq 0 iso 0 dist 5.66363 9.47799 8.90963 9.86845 8.91338 9.1374 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 5.66363 9.47799 8.90963 13.0329 9.81073 5.98885 numMergedOcc 0
53 mol 181 unq 2 iso 0 dist 5.66363 9.47799 8.90963 14.039 9.34211 9.15386 numMergedOcc 0
54 mol 181 unq 3 iso 0 dist 5.97968 9.09989 8.90963 12.5284 8.91338 9.1374 numMergedOcc 0
55 mol 181 unq 4 iso 0 dist 5.97968 9.09989 8.90963 12.9014 9.81073 5.98885 numMergedOcc 0
56 mol 181 unq 5 iso 0 dist 5.97968 9.09989 8.90963 12.9138 9.34211 9.15386 numMergedOcc 0
57 mol 181 unq 6 iso 0 dist 8.50382 12.4243 8.90963 16.91 8.91338 9.1374 numMergedOcc 0
58 mol 181 unq 7 iso 0 dist 8.50382 12.4243 8.90963 14.5608 9.81073 5.98885 numMergedOcc 0
59 mol 181 unq 8 iso 0 dist 8.50382 12.4243 8.90963 12.2786 9.34211 9.15386 numMergedOcc 0
60 mol 181 unq 9 iso 0 dist 8.63119 4.98009 8.90963 12.0593 8.91338 9.1374 numMergedOcc 0
61 mol 181 unq 10 iso 0 dist 8.63119 4.98009 8.90963 10.3248 9.81073 5.98885 numMergedOcc 0
62 mol 181 unq 11 iso 0 dist 8.63119 4.98009 8.90963 11.7479 9.34211 9.15386 numMergedOcc 0
63 mol 181 unq 12 iso 0 dist 6.95568 4.11061 6.59025 11.5719 8.04639 8.03334 numMergedOcc 0
64 mol 181 unq 13 iso 0 dist 9.07527 9.32503 5.9176 12.06 5.63555 7.63312 numMergedOcc 0
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66 mol 197 unq 1 iso 0 dist 8.98598 4.57437 7.50013 12.5442 8.46623 8.56633 numMergedOcc 0
67 mol 197 unq 2 iso 0 dist 7.06689 4.57437 5.81233 12.5442 10.7305 8.56633 numMergedOcc 0
68 mol 197 unq 3 iso 0 dist 9.69601 4.57437 6.92924 12.5442 5.41996 8.56633 numMergedOcc 0
69 mol 204 unq 0 iso 0 dist 8.62191 18.2283 9.68728 14.9107 7.67571 7.10633 numMergedOcc 0
70 mol 204 unq 1 iso 0 dist 8.62191 18.2283 9.68728 18.4353 10.8573 8.51516 numMergedOcc 0
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72 mol 205 unq 1 iso 0 dist 5.86419 4.78067 4.8668 9.34594 5.8535 7.45763 numMergedOcc 0
73 mol 205 unq 2 iso 0 dist 7.23557 4.2475 4.8668 13.2057 9.13652 9.61492 numMergedOcc 0
74 mol 205 unq 3 iso 0 dist 7.23557 4.2475 4.8668 6.752 5.8535 7.45763 numMergedOcc 0
75 mol 205 unq 4 iso 0 dist 8.86587 6.8901 4.8668 13.3164 9.13652 9.61492 numMergedOcc 0
76 mol 205 unq 5 iso 0 dist 8.86587 6.8901 4.8668 5.4913 5.8535 7.45763 numMergedOcc 0
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80 mol 222 unq 2 iso 0 dist 5.89818 4.82768 7.67576 7.85877 7.75656 7.21333 numMergedOcc 0
81 mol 222 unq 3 iso 0 dist 9.32543 4.82768 9.82371 10.8522 8.52017 8.01589 numMergedOcc 0
82 mol 222 unq 4 iso 0 dist 9.32543 4.82768 9.82371 10.0664 15.7504 7.7699 numMergedOcc 0
83 mol 222 unq 5 iso 0 dist 9.32543 4.82768 9.82371 7.85877 16.0949 7.21333 numMergedOcc 0
84 mol 223 unq 0 iso 0 dist 7.81769 8.78003 7.48463 16.8669 11.8654 8.77153 numMergedOcc 0
85 mol 223 unq 1 iso 0 dist 7.81769 8.78003 7.48463 13.1127 6.05524 8.6166 numMergedOcc 0
86 mol 223 unq 2 iso 0 dist 7.66694 5.33327 7.48463 13.9834 11.8654 8.77153 numMergedOcc 0
87 mol 223 unq 3 iso 0 dist 7.66694 5.33327 7.48463 11.478 6.05524 8.6166 numMergedOcc 0
88 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 9.29752 8.80479 8.27212 numMergedOcc 0
89 mol 249 unq 0 iso 0 dist 6.58109 9.9244 5.48118 15.0261 10.7772 7.57994 numMergedOcc 0
90 mol 249 unq 1 iso 0 dist 6.58109 9.9244 5.48118 10.454 7.04666 6.18582 numMergedOcc 0
91 mol 258 unq 0 iso 0 dist 8.63176 6.48867 7.21311 5.73834 5.63675 6.60405 numMergedOcc 0
92 mol 264 unq 0 iso 0 dist 9.3201 3.93713 7.16853 13.1873 11.1431 9.361 numMergedOcc 0
93 mol 264 unq 1 iso 0 dist 9.3201 3.93713 7.16853 8.19504 5.00209 6.24356 numMergedOcc 0
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95 mol 274 unq 1 iso 0 dist 9.11072 9.85454 9.85289 16.6696 11.4459 8.49997 numMergedOcc 0
96 mol 274 unq 2 iso 0 dist 9.02071 5.9882 9.85289 9.71801 6.20558 7.56915 numMergedOcc 0
97 mol 274 unq 3 iso 0 dist 9.02071 5.9882 9.85289 13.4994 11.4459 8.49997 numMergedOcc 0
