0 mol 44 unq 0 iso 0 dist 9.53901 13.4307 7.42925 4.14243 7.49423 11.1199 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.16059 9.61868 9.81193 5.83277 5.2568 6.67753 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.94312 9.37655 7.45801 12.3047 6.8173 12.0718 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 9.94312 10.1715 5.30477 12.3047 6.8173 4.1846 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.51608 6.20053 6.84747 7.19418 4.86696 7.74121 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 9.51608 7.70147 7.75436 7.19418 4.86696 9.58222 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 8.62536 4.90088 6.84747 11.534 4.86696 7.74121 numMergedOcc 0
7 mol 76 unq 3 iso 0 dist 8.62536 7.5659 7.75436 11.534 4.86696 9.58222 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 4.85152 5.47738 7.2131 7.81379 9.22123 3.77771 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 4.85152 5.47738 7.2131 4.65469 7.36335 9.04084 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 4.85152 4.665 7.44343 7.81379 9.22123 9.8974 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 4.85152 4.665 7.44343 4.65469 7.36335 3.87825 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.8034 11.5898 9.39811 5.0614 6.94015 7.16011 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.51265 13.1683 7.35385 16.1482 9.80185 3.80763 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 8.51265 9.00056 8.35864 16.1482 9.80185 9.98068 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 9.98097 10.537 9.80549 5.76787 7.43587 5.16197 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 7.21636 5.8155 5.11444 4.52353 8.78397 5.83776 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 6.67598 5.02458 9.6281 15.4738 9.15935 18.3899 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 8.34508 17.0458 9.6281 7.92829 9.15935 18.3899 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 9.81282 10.6499 5.5781 13.7825 8.58178 4.82566 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 9.81282 10.6499 5.5781 9.83347 4.77438 3.74873 numMergedOcc 0
21 mol 183 unq 2 iso 0 dist 9.81282 10.6499 5.5781 5.14341 5.73344 5.77609 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 5.13722 4.84884 5.0207 10.5517 8.98606 6.04545 numMergedOcc 0
23 mol 185 unq 0 iso 0 dist 6.11382 13.85 8.56136 4.96002 4.91046 9.87079 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 9.16852 5.35985 9.82224 11.2707 6.63784 11.1328 numMergedOcc 0
25 mol 193 unq 1 iso 0 dist 9.16852 5.35985 9.82224 13.7744 9.00934 11.6691 numMergedOcc 0
26 mol 193 unq 2 iso 0 dist 9.16852 12.1335 8.95886 11.2707 6.63784 11.4882 numMergedOcc 0
27 mol 193 unq 3 iso 0 dist 9.16852 12.1335 8.95886 13.7744 9.00934 9.7301 numMergedOcc 0
28 mol 193 unq 4 iso 0 dist 8.6538 9.89855 9.82224 5.10716 6.63784 11.1328 numMergedOcc 0
29 mol 193 unq 5 iso 0 dist 8.6538 9.89855 9.82224 8.89309 9.00934 11.6691 numMergedOcc 0
30 mol 193 unq 6 iso 0 dist 8.6538 13.8215 8.95886 5.10716 6.63784 11.4882 numMergedOcc 0
31 mol 193 unq 7 iso 0 dist 8.6538 13.8215 8.95886 8.89309 9.00934 9.7301 numMergedOcc 0
32 mol 193 unq 8 iso 0 dist 5.19654 12.9817 9.82224 4.40965 6.63784 11.1328 numMergedOcc 0
33 mol 193 unq 9 iso 0 dist 5.19654 12.9817 9.82224 6.04442 9.00934 11.6691 numMergedOcc 0
34 mol 193 unq 10 iso 0 dist 5.19654 10.7013 8.95886 4.40965 6.63784 11.4882 numMergedOcc 0
35 mol 193 unq 11 iso 0 dist 5.19654 10.7013 8.95886 6.04442 9.00934 9.7301 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 7.14871 5.10459 7.32556 7.7423 6.11886 5.89269 numMergedOcc 0
37 mol 205 unq 1 iso 0 dist 7.14871 9.24673 9.28689 7.7423 6.11886 5.27881 numMergedOcc 0
38 mol 205 unq 2 iso 0 dist 7.14871 8.92958 9.1654 7.7423 6.11886 10.7019 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 8.8978 6.2709 5.68253 8.41106 8.33309 3.64991 numMergedOcc 0
40 mol 247 unq 0 iso 0 dist 9.48468 4.85779 9.9667 6.6862 9.42253 3.56192 numMergedOcc 0
41 mol 253 unq 0 iso 0 dist 9.35766 10.5693 9.6479 6.10294 9.137 5.68255 numMergedOcc 0
42 mol 253 unq 1 iso 0 dist 9.35766 10.5693 9.6479 5.04216 8.0127 5.57952 numMergedOcc 0
43 mol 265 unq 0 iso 0 dist 8.19772 11.7401 7.49913 11.5884 6.80043 6.31696 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 9.42812 13.008 5.92532 3.60894 9.48076 12.1127 numMergedOcc 0
45 mol 277 unq 1 iso 0 dist 7.98871 6.72611 9.55366 4.88613 9.98309 11.4384 numMergedOcc 0
46 mol 294 unq 0 iso 0 dist 6.9719 9.61922 9.7659 4.49457 8.30521 5.90794 numMergedOcc 0
