0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 12.0193 5.99972 10.6471 5.03847 10.3148 9.97624 11.3204 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.20519 9.80108 5.5841 4.96411 7.75618 7.02548 9.32205 10.3056 8.19695 6.60936 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.4674 6.20943 5.14627 4.64838 6.41575 5.82366 10.943 14.129 9.85134 10.4685 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.54938 7.82528 5.14627 4.97119 6.41575 5.82366 15.119 14.129 9.85134 10.4685 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.51865 6.20943 4.69858 4.64838 6.41423 5.82366 10.943 13.212 9.85134 10.4685 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 4.51865 8.58657 6.74265 7.08342 8.40416 7.02548 13.0631 13.287 8.19695 6.60936 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 6.864 7.82528 4.69858 4.97119 6.41423 5.82366 15.119 13.212 9.85134 10.4685 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 6.864 8.58657 5.5841 7.08342 7.75618 7.02548 13.0631 10.3056 8.19695 6.60936 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.55426 9.73139 13.1021 5.74871 7.21955 14.2645 12.2123 18.8985 9.11258 16.9995 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 9.50382 6.95572 5.39745 8.55834 10.5753 7.1539 6.34272 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.4729 5.81965 6.99832 12.7565 7.38677 10.8154 8.55834 10.5753 7.1539 10.2671 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 7.4729 5.81965 6.99832 12.7565 7.38677 10.8154 9.50382 6.95572 5.39745 6.36037 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 6.82344 9.70512 6.99832 7.56363 6.95572 5.39745 7.76866 10.5753 7.1539 6.34272 numMergedOcc 0
13 mol 92 unq 4 iso 0 dist 6.82344 9.70512 6.99832 5.91004 7.38677 10.8154 7.76866 10.5753 7.1539 10.2671 numMergedOcc 0
14 mol 92 unq 5 iso 0 dist 6.82344 9.70512 6.99832 5.91004 7.38677 10.8154 7.56363 6.95572 5.39745 6.36037 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 7.47343 8.72704 10.1589 12.2861 8.30845 9.44658 10.6245 9.5074 6.0652 4.36434 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 7.47343 8.72704 10.1589 15.5385 8.76378 18.5425 10.6245 9.5074 6.0652 16.5704 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 7.20179 6.52773 11.8717 15.5019 17.9198 7.26955 18.3343 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 9.89358 9.23858 15.8603 15.5019 17.9198 7.26955 22.4968 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 9.87172 7.44174 7.36192 10.9441 9.11344 11.8717 10.314 14.2293 7.26955 18.3343 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 6.0268 6.30546 7.36017 8.01268 10.0699 5.14819 6.71205 numMergedOcc 0
21 mol 126 unq 1 iso 0 dist 6.06638 7.75534 7.01257 6.0268 6.30546 7.36017 10.2072 12.8712 6.84245 10.7821 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 16.0138 9.22232 12.3267 5.92062 9.22661 6.51868 18.2432 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 16.0138 9.22232 12.3267 6.61891 7.56378 7.34698 15.4484 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 7.11802 7.92688 4.68409 5.92062 9.22661 6.51868 6.61891 7.56378 7.34698 7.33253 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 7.11802 7.92688 4.68409 6.61891 7.56378 7.34698 5.92062 9.22661 6.51868 7.33253 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 6.43582 9.14392 12.1814 5.50031 7.92304 13.3276 6.89781 10.3161 9.0529 6.56063 numMergedOcc 0
27 mol 155 unq 1 iso 0 dist 6.43582 7.51198 6.34186 5.50031 7.92304 9.80845 6.89781 10.3161 7.55196 6.56063 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 7.44554 6.27641 7.29758 11.9952 9.47433 13.7525 5.4555 9.44367 5.81122 16.7026 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 6.57069 9.8589 7.5414 8.29015 9.77896 5.4997 14.7282 14.2813 6.99693 6.75531 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 5.98885 6.94688 5.86342 5.6044 9.72611 10.3766 6.6251 7.99195 9.06217 12.1167 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 5.98885 6.71012 9.14057 5.6044 9.72611 10.7723 6.6251 7.99195 7.13252 12.1167 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 5.98885 7.13543 10.0524 9.81073 8.90963 15.9219 5.77299 10.6908 6.32777 12.5391 numMergedOcc 0
33 mol 181 unq 3 iso 0 dist 7.81386 7.98142 9.53462 7.20191 9.39829 13.5221 5.63555 10.4943 5.97685 9.53592 numMergedOcc 0
34 mol 181 unq 4 iso 0 dist 7.81386 7.37327 11.1462 7.20191 9.39829 14.5372 5.63555 10.4943 8.9289 9.53592 numMergedOcc 0
35 mol 181 unq 5 iso 0 dist 7.63312 7.98142 9.60512 7.20191 6.41453 13.5221 5.63555 5.9176 5.97685 9.53592 numMergedOcc 0
36 mol 181 unq 6 iso 0 dist 7.63312 7.37327 13.3389 7.20191 6.41453 14.5372 5.63555 5.9176 8.9289 9.53592 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 6.35849 7.43071 12.2922 10.9607 5.41321 7.57454 11.362 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 8.65997 6.95902 6.43754 10.204 7.43071 12.2922 9.72615 5.41321 7.57454 11.362 numMergedOcc 0
39 mol 227 unq 2 iso 0 dist 7.55216 8.83563 11.662 9.32448 7.43071 10.4957 6.67321 13.0798 9.28891 10.7525 numMergedOcc 0
40 mol 227 unq 3 iso 0 dist 7.55216 8.83563 11.662 6.48027 5.41321 13.792 6.67321 13.0798 9.28891 12.8418 numMergedOcc 0
41 mol 227 unq 4 iso 0 dist 7.09863 8.17891 9.13836 6.35849 6.02296 12.2922 10.9607 9.74265 7.57454 11.362 numMergedOcc 0
42 mol 282 unq 0 iso 0 dist 8.04483 6.85028 6.3384 5.65568 9.0975 11.0343 7.80785 10.6906 6.8972 10.4705 numMergedOcc 0
43 mol 282 unq 1 iso 0 dist 6.33524 7.32347 6.3384 5.0324 9.0975 11.0343 6.6348 10.6906 6.8972 10.4705 numMergedOcc 0
