0 mol 10 unq 0 iso 0 dist 7.99404 7.76098 9.1686 3.5691 6.68744 7.28753 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.99404 8.20812 8.99402 3.5691 6.68744 4.84364 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 7.99404 9.87224 7.3489 3.5691 6.68744 11.1641 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.85573 11.0282 8.23606 6.03997 7.49423 7.00034 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 6.21423 6.5318 8.23606 6.54853 7.49423 7.00034 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 9.28585 4.59148 6.6146 7.8463 5.28331 4.77556 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 6.78043 8.6267 8.67865 3.68302 7.80279 10.8271 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 5.74364 4.68995 8.67865 6.29901 7.80279 10.8271 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 6.97361 6.46237 5.61016 7.0263 9.83944 6.77274 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.68599 5.57746 5.12189 5.74295 8.65133 4.70163 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.68599 5.8422 7.50911 5.74295 8.65133 11.5439 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.32669 3.56357 8.56593 7.06015 7.53168 9.65579 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.32669 3.56357 8.56593 6 5.18805 5.93647 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 6.32669 3.56357 8.56593 8.90391 7.11158 8.51016 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 9.92635 13.34 6.21267 5.27311 8.58178 10.0862 numMergedOcc 0
15 mol 183 unq 1 iso 0 dist 9.92635 13.34 6.21267 6.58331 4.77438 8.68367 numMergedOcc 0
16 mol 183 unq 2 iso 0 dist 9.92635 13.34 6.21267 12.5326 5.73344 8.36315 numMergedOcc 0
17 mol 183 unq 3 iso 0 dist 9.92635 13.9426 7.41743 5.27311 8.58178 10.0647 numMergedOcc 0
18 mol 183 unq 4 iso 0 dist 9.92635 13.9426 7.41743 6.58331 4.77438 7.5521 numMergedOcc 0
19 mol 183 unq 5 iso 0 dist 9.92635 13.9426 7.41743 12.5326 5.73344 3.17225 numMergedOcc 0
20 mol 183 unq 6 iso 0 dist 7.85507 9.98606 6.21267 3.84394 8.58178 10.0862 numMergedOcc 0
21 mol 183 unq 7 iso 0 dist 7.85507 9.98606 6.21267 5.46887 4.77438 8.68367 numMergedOcc 0
22 mol 183 unq 8 iso 0 dist 7.85507 9.98606 6.21267 11.1336 5.73344 8.36315 numMergedOcc 0
23 mol 183 unq 9 iso 0 dist 7.85507 11.9935 7.41743 3.84394 8.58178 10.0647 numMergedOcc 0
24 mol 183 unq 10 iso 0 dist 7.85507 11.9935 7.41743 5.46887 4.77438 7.5521 numMergedOcc 0
25 mol 183 unq 11 iso 0 dist 7.85507 11.9935 7.41743 11.1336 5.73344 3.17225 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.12583 10.2313 9.94142 3.42324 6.7279 8.10448 numMergedOcc 0
27 mol 197 unq 0 iso 0 dist 5.79753 12.1167 8.51118 3.70636 7.06868 11.048 numMergedOcc 0
28 mol 197 unq 1 iso 0 dist 7.56537 5.79567 8.51118 8.82321 7.06868 11.048 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 9.32657 6.78359 9.89311 15.4907 9.88692 12.3846 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 9.32657 6.78359 9.89311 11.6653 9.38368 6.06509 numMergedOcc 0
31 mol 205 unq 2 iso 0 dist 6.21409 6.78359 7.71155 11.6653 9.29298 6.06509 numMergedOcc 0
32 mol 211 unq 0 iso 0 dist 7.38723 12.6613 9.8921 3.56019 8.13147 14.4494 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 8.20243 6.12122 5.33462 12.314 9.91332 7.54878 numMergedOcc 0
34 mol 255 unq 0 iso 0 dist 8.22083 7.82713 6.25315 16.1055 8.47155 10.1521 numMergedOcc 0
35 mol 257 unq 0 iso 0 dist 8.9297 4.65989 6.51449 3.67805 9.93591 7.74446 numMergedOcc 0
36 mol 257 unq 1 iso 0 dist 9.02271 6.69682 8.98346 8.24936 9.95749 13.6472 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 9.4886 12.1075 8.57305 10.3385 9.30975 9.52365 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 7.97113 6.92619 8.91916 9.58753 8.75224 15.0418 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 8.38479 11.3266 8.91916 6.78897 8.75224 15.0418 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 8.01368 13.0497 9.05509 3.65986 8.9318 11.2705 numMergedOcc 0
41 mol 283 unq 0 iso 0 dist 8.80555 9.35698 7.88405 13.6006 8.91437 5.01922 numMergedOcc 0
42 mol 283 unq 1 iso 0 dist 8.80418 6.27944 7.88405 6.35533 8.91437 5.01922 numMergedOcc 0
