0 mol 4 unq 0 iso 0 dist 9.84876 11.9832 8.57798 6.8787 9.71908 14.3678 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.84876 10.8556 6.45344 6.8787 9.71908 7.86036 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 7.04966 5.16461 7.54797 9.55728 8.73627 7.00835 numMergedOcc 0
3 mol 14 unq 1 iso 0 dist 7.04966 5.16461 7.54797 5.68897 8.69369 5.86601 numMergedOcc 0
4 mol 14 unq 2 iso 0 dist 7.66311 7.67076 7.54797 4.15151 8.39221 9.18933 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 9.50382 5.83115 9.65404 11.8354 9.69454 6.92576 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.76559 4.06798 9.65404 5.67097 9.69454 6.92576 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 8.28883 5.82846 8.96621 5.72813 7.54318 10.3987 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 5.44539 6.83076 8.42643 6.33921 5.38191 5.29727 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 9.35633 16.6371 7.59354 16.255 9.59261 6.83826 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 9.35633 16.6371 7.59354 9.75148 6.67936 9.94628 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 9.35633 16.6371 7.59354 15.2099 8.25817 7.53156 numMergedOcc 0
12 mol 108 unq 0 iso 0 dist 9.32474 13.0187 7.52802 5.60268 7.29462 12.8858 numMergedOcc 0
13 mol 108 unq 1 iso 0 dist 9.32474 5.94602 8.1971 5.60268 7.29462 9.53351 numMergedOcc 0
14 mol 108 unq 2 iso 0 dist 9.32474 11.0405 7.84262 5.60268 7.29462 12.0135 numMergedOcc 0
15 mol 108 unq 3 iso 0 dist 8.80334 11.0405 9.29208 5.60268 5.4057 12.0135 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.59182 7.92198 9.0224 12.4009 8.21889 10.6667 numMergedOcc 0
17 mol 109 unq 1 iso 0 dist 8.59182 7.92198 9.0224 12.8701 9.74643 15.1709 numMergedOcc 0
18 mol 109 unq 2 iso 0 dist 8.59182 7.92198 9.0224 5.95831 6.86702 10.3273 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 8.24549 10.3859 9.40633 4.99061 6.49205 6.83988 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 7.25133 6.26197 9.93897 4.57807 7.11388 5.44525 numMergedOcc 0
21 mol 126 unq 1 iso 0 dist 7.25133 6.26197 9.93897 13.2652 8.83131 14.2677 numMergedOcc 0
22 mol 126 unq 2 iso 0 dist 9.33622 12.5693 9.93897 10.1683 7.11388 5.44525 numMergedOcc 0
23 mol 126 unq 3 iso 0 dist 9.33622 12.5693 9.93897 5.27125 8.83131 14.2677 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 9.07294 11.7194 8.60913 13.1243 8.84018 14.8033 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 7.50126 11.2716 8.60913 15.9524 8.84018 14.8033 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 5.59682 4.75398 9.8492 6.62991 8.89982 10.035 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 7.71277 14.256 9.8492 7.17016 8.89982 10.035 numMergedOcc 0
28 mol 165 unq 0 iso 0 dist 8.64349 8.89762 5.5411 5.10218 9.78437 7.59954 numMergedOcc 0
29 mol 178 unq 0 iso 0 dist 8.14441 6.97067 7.69328 13.6129 8.0974 15.6558 numMergedOcc 0
30 mol 183 unq 0 iso 0 dist 6.21267 3.97176 8.74697 11.4393 7.31181 14.6339 numMergedOcc 0
31 mol 183 unq 1 iso 0 dist 7.41743 11.2781 8.74697 6.81609 7.31181 14.6339 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 9.89311 17.2287 9.69941 14.1114 7.07183 5.28389 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 9.81136 16.2407 9.03521 17.404 8.49704 13.0236 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 7.86207 15.8912 9.58724 10.6943 9.8711 14.6296 numMergedOcc 0
35 mol 220 unq 1 iso 0 dist 7.57712 6.555 9.58724 6.19375 7.31105 4.90657 numMergedOcc 0
36 mol 223 unq 0 iso 0 dist 7.57564 4.44076 7.22882 4.21803 7.82697 5.18719 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 7.47122 8.09748 8.23071 15.4433 9.75313 10.9485 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 5.97988 8.60417 9.79842 6.70321 6.08709 6.06244 numMergedOcc 0
39 mol 224 unq 2 iso 0 dist 6.6537 6.63295 8.23071 4.55824 9.75313 10.9485 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 9.08719 7.00684 9.79842 4.55824 6.08709 6.06244 numMergedOcc 0
41 mol 224 unq 4 iso 0 dist 7.62593 6.4556 5.90784 11.4653 9.33771 14.2632 numMergedOcc 0
42 mol 224 unq 5 iso 0 dist 7.62593 6.4556 5.90784 12.5358 7.39839 13.2364 numMergedOcc 0
43 mol 224 unq 6 iso 0 dist 7.62593 7.70922 8.50322 11.4653 9.33771 9.59595 numMergedOcc 0
44 mol 224 unq 7 iso 0 dist 7.62593 7.70922 8.50322 12.5358 7.39839 9.40389 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 8.97411 7.74421 7.66806 4.6881 5.73296 5.09738 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 8.73077 9.58306 6.13752 13.6207 6.77279 6.59107 numMergedOcc 0
47 mol 259 unq 1 iso 0 dist 8.73077 9.58306 6.13752 16.6797 9.58006 11.1778 numMergedOcc 0
48 mol 259 unq 2 iso 0 dist 6.76656 9.68247 6.13752 10.908 6.77279 6.59107 numMergedOcc 0
49 mol 259 unq 3 iso 0 dist 6.76656 9.68247 6.13752 12.7595 9.58006 11.1778 numMergedOcc 0
50 mol 278 unq 0 iso 0 dist 8.87405 4.98313 5.12827 8.66976 9.82774 9.40662 numMergedOcc 0
