0 mol 11 unq 0 iso 0 dist 9.52695 6.65725 8.73067 12.8782 12.8869 6.35021 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.78754 6.35394 9.09091 12.8696 12.6523 6.56599 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.99751 10.7581 7.22361 6.67455 5.60332 7.24149 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.99751 6.77783 6.15893 6.67455 5.60332 8.63881 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.99751 6.77783 6.15893 14.0496 5.3241 9.33901 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 9.44507 6.77783 5.497 6.67455 7.30207 8.63881 numMergedOcc 0
6 mol 26 unq 4 iso 0 dist 9.44507 6.77783 5.497 14.0496 6.30968 9.33901 numMergedOcc 0
7 mol 26 unq 5 iso 0 dist 9.30674 11.3546 7.22361 9.2772 5.60332 7.24149 numMergedOcc 0
8 mol 26 unq 6 iso 0 dist 9.30674 5.24037 6.15893 9.2772 5.60332 8.63881 numMergedOcc 0
9 mol 26 unq 7 iso 0 dist 9.30674 5.24037 6.15893 13.6916 5.3241 9.33901 numMergedOcc 0
10 mol 26 unq 8 iso 0 dist 8.25567 10.6733 7.22361 10.9167 5.60332 7.24149 numMergedOcc 0
11 mol 26 unq 9 iso 0 dist 8.25567 4.82659 6.15893 10.9167 5.60332 8.63881 numMergedOcc 0
12 mol 26 unq 10 iso 0 dist 8.25567 4.82659 6.15893 11.184 5.3241 9.33901 numMergedOcc 0
13 mol 41 unq 0 iso 0 dist 5.31016 5.14132 6.73801 6.91278 4.65104 9.22814 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 5.84625 9.80755 9.11258 9.33642 4.92118 9.9648 numMergedOcc 0
15 mol 64 unq 0 iso 0 dist 6.23138 6.84612 9.32552 9.82294 8.95689 5.1488 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 8.27794 8.32999 9.83981 8.79677 11.1547 6.06039 numMergedOcc 0
17 mol 114 unq 1 iso 0 dist 8.27794 5.28095 6.13559 15.0895 9.72019 9.9778 numMergedOcc 0
18 mol 114 unq 2 iso 0 dist 8.27794 5.28095 6.13559 8.79677 11.1547 9.36502 numMergedOcc 0
19 mol 114 unq 3 iso 0 dist 8.27794 11.5542 6.51395 15.0895 9.72019 6.27701 numMergedOcc 0
20 mol 116 unq 0 iso 0 dist 7.6005 8.76048 7.35992 12.4936 6.2875 9.49798 numMergedOcc 0
21 mol 116 unq 1 iso 0 dist 7.6005 5.79458 6.49383 12.4936 6.2875 8.31955 numMergedOcc 0
22 mol 116 unq 2 iso 0 dist 8.7583 11.4263 7.35992 14.7718 6.2875 9.49798 numMergedOcc 0
23 mol 116 unq 3 iso 0 dist 8.7583 9.91115 6.49383 14.7718 6.2875 8.31955 numMergedOcc 0
24 mol 126 unq 0 iso 0 dist 8.97111 4.56139 7.36017 13.0491 9.50242 8.62574 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 6.42904 5.80615 6.51868 12.4361 9.68947 7.46812 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 7.31633 6.2062 7.34698 5.84909 5.10826 7.46812 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 8.30496 4.06022 8.75562 9.73865 4.11501 8.37295 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 6.78469 4.06022 8.00449 9.73865 7.22151 8.37295 numMergedOcc 0
29 mol 141 unq 2 iso 0 dist 8.01453 6.47962 8.00449 8.52591 7.22151 8.37295 numMergedOcc 0
30 mol 148 unq 0 iso 0 dist 9.80819 11.6995 9.73927 13.508 9.03832 9.21934 numMergedOcc 0
31 mol 150 unq 0 iso 0 dist 9.81665 11.8035 9.66129 13.5808 9.0892 9.13113 numMergedOcc 0
32 mol 157 unq 0 iso 0 dist 9.30128 9.06676 6.455 8.78412 6.22449 8.18826 numMergedOcc 0
33 mol 173 unq 0 iso 0 dist 9.38737 10.5012 8.41245 11.5856 4.24035 9.71921 numMergedOcc 0
34 mol 173 unq 1 iso 0 dist 9.51638 12.905 6.64779 14.0649 5.66096 9.71921 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 5.66363 7.58472 5.95304 10.5831 5.51195 5.89833 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 5.97968 4.24915 5.95304 8.90161 5.51195 5.89833 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 8.50382 4.20499 5.95304 7.11262 5.51195 5.89833 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 8.63119 5.70246 5.95304 10.5851 5.51195 5.89833 numMergedOcc 0
39 mol 181 unq 4 iso 0 dist 9.07527 12.5567 8.9289 16.5452 9.06982 7.39743 numMergedOcc 0
40 mol 188 unq 0 iso 0 dist 9.37017 14.7966 9.33696 13.5626 5.01686 6.02957 numMergedOcc 0
41 mol 195 unq 0 iso 0 dist 8.13947 4.04021 9.82588 9.35664 7.07871 7.87044 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 9.41148 6.17401 7.10413 11.4007 5.0625 9.94653 numMergedOcc 0
43 mol 232 unq 1 iso 0 dist 9.41148 6.17401 7.10413 11.9289 4.86592 7.97572 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 7.26887 11.0995 7.04753 14.5898 7.39114 9.61559 numMergedOcc 0
