0 mol 1 unq 0 iso 0 dist 9.19543 7.68779 6.13271 5.96722 11.399 6.4181 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 8.8993 9.41745 6.7002 4.13477 6.91627 7.8865 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 5.65377 7.15141 6.08005 11.0298 11.1496 7.14232 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.31362 7.16036 5.68567 11.0716 12.2785 9.96265 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 7.31362 7.16036 5.68567 7.93542 9.88278 9.70459 numMergedOcc 0
5 mol 44 unq 2 iso 0 dist 7.31362 7.16036 5.68567 4.61354 9.16551 7.78905 numMergedOcc 0
6 mol 44 unq 3 iso 0 dist 7.31362 7.16036 5.68567 6.03595 12.4418 9.44909 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 6.47185 8.2513 5.80658 10.0786 13.3447 9.77553 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 8.88887 11.1658 5.97635 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 8.29606 9.99643 6.63565 11.5723 13.1609 7.52103 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 8.29606 9.99643 6.63565 3.60123 9.00513 8.46556 numMergedOcc 0
11 mol 61 unq 2 iso 0 dist 8.09075 9.99643 9.0032 11.5723 14.4297 7.52103 numMergedOcc 0
12 mol 61 unq 3 iso 0 dist 8.09075 9.99643 9.0032 3.60123 8.64665 8.46556 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 9.32172 7.80757 9.0996 10.928 12.3746 9.23023 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 9.32172 5.5849 6.50212 10.1482 15.357 9.10981 numMergedOcc 0
15 mol 78 unq 2 iso 0 dist 8.93486 8.75605 6.50212 14.1713 15.357 9.10981 numMergedOcc 0
16 mol 91 unq 0 iso 0 dist 9.23907 7.28711 5.27581 12.1555 9.89813 9.3931 numMergedOcc 0
17 mol 110 unq 0 iso 0 dist 8.74224 6.59361 4.65767 4.88877 12.2717 9.73174 numMergedOcc 0
18 mol 110 unq 1 iso 0 dist 8.74224 6.59361 4.65767 7.46387 13.2598 9.65418 numMergedOcc 0
19 mol 110 unq 2 iso 0 dist 5.33139 6.59361 5.33778 4.88877 8.36172 9.73174 numMergedOcc 0
20 mol 110 unq 3 iso 0 dist 5.33139 6.59361 5.33778 7.46387 10.3804 9.65418 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 7.62006 4.93984 7.01116 6.87303 13.7816 8.14096 numMergedOcc 0
22 mol 167 unq 1 iso 0 dist 7.62006 4.93984 7.01116 6.01114 9.38623 8.43038 numMergedOcc 0
23 mol 167 unq 2 iso 0 dist 7.62006 4.93984 7.01116 9.04662 11.5246 9.87966 numMergedOcc 0
24 mol 176 unq 0 iso 0 dist 9.67515 4.96326 9.5735 12.148 12.9203 7.30954 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.46429 5.63906 7.37734 5.88166 4.85577 8.03995 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 9.44978 9.05666 4.94984 11.524 13.6095 9.90531 numMergedOcc 0
27 mol 196 unq 0 iso 0 dist 7.21836 6.60651 12.7415 4.73252 11.7963 6.25429 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 6.43416 5.52981 6.75711 7.26513 7.38022 8.5119 numMergedOcc 0
29 mol 249 unq 0 iso 0 dist 8.84212 6.42827 12.6924 7.26569 15.7449 6.37672 numMergedOcc 0
30 mol 249 unq 1 iso 0 dist 8.84212 6.42827 12.6924 6.09915 14.5161 8.94023 numMergedOcc 0
31 mol 249 unq 2 iso 0 dist 7.10933 6.42827 8.71871 7.26569 10.7935 6.37672 numMergedOcc 0
32 mol 249 unq 3 iso 0 dist 7.10933 6.42827 8.71871 6.09915 11.0038 8.94023 numMergedOcc 0
33 mol 265 unq 0 iso 0 dist 5.90175 4.96568 4.75685 9.37522 8.09021 9.772 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 7.07268 8.27977 4.51764 4.0145 8.53542 7.74162 numMergedOcc 0
