0 mol 11 unq 0 iso 0 dist 6.84216 8.68293 14.8738 11.0597 6.83186 19.4932 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.58046 8.01262 13.3327 10.7048 6.83186 18.4817 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.23075 4.7841 6.0925 13.5399 8.25818 10.2171 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.15542 8.89047 6.87266 3.63758 8.65524 8.96151 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.15542 8.89047 6.87266 6.88863 8.22812 4.22002 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 7.15542 8.89003 4.62605 3.63758 8.65524 9.02535 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.15542 8.89003 4.62605 6.88863 8.22812 5.77855 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 8.89047 7.15542 6.87266 3.63758 8.96151 8.65524 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 8.89047 7.15542 6.87266 6.88863 4.22002 8.22812 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 8.89047 8.89003 3.23184 3.63758 8.96151 9.02535 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 8.89047 8.89003 3.23184 6.88863 4.22002 5.77855 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 8.89003 7.15542 4.62605 3.63758 9.02535 8.65524 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 8.89003 7.15542 4.62605 6.88863 5.77855 8.22812 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 8.89003 8.89047 3.23184 3.63758 9.02535 8.96151 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 8.89003 8.89047 3.23184 6.88863 5.77855 4.22002 numMergedOcc 0
15 mol 78 unq 0 iso 0 dist 9.85512 8.97888 3.46822 3.46486 8.42738 8.79979 numMergedOcc 0
16 mol 78 unq 1 iso 0 dist 8.97888 9.85512 3.46822 9.6123 8.61143 11.407 numMergedOcc 0
17 mol 78 unq 2 iso 0 dist 8.97888 9.85512 3.46822 3.46486 8.79979 8.42738 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 5.25027 4.37025 5.30569 3.83059 4.15789 4.808 numMergedOcc 0
19 mol 79 unq 1 iso 0 dist 4.37025 5.25027 5.30569 8.95695 6.20144 9.56766 numMergedOcc 0
20 mol 79 unq 2 iso 0 dist 4.37025 5.25027 5.30569 3.83059 4.808 4.15789 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 7.69926 5.85237 2.58673 6.35602 6.67137 7.04244 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 7.69926 5.85237 2.58673 13.5979 9.78707 9.63449 numMergedOcc 0
23 mol 85 unq 2 iso 0 dist 5.85237 7.69926 2.58673 3.88489 7.07839 9.52926 numMergedOcc 0
24 mol 85 unq 3 iso 0 dist 5.85237 7.69926 2.58673 5.78841 7.91193 10.4386 numMergedOcc 0
25 mol 85 unq 4 iso 0 dist 5.85237 7.69926 2.58673 7.33192 9.09711 10.9264 numMergedOcc 0
26 mol 85 unq 5 iso 0 dist 5.85237 7.69926 2.58673 6.35602 7.04244 6.67137 numMergedOcc 0
27 mol 85 unq 6 iso 0 dist 5.85237 7.69926 2.58673 13.5979 9.63449 9.78707 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.11702 7.44558 9.99088 4.56372 9.29327 11.0867 numMergedOcc 0
29 mol 111 unq 0 iso 0 dist 9.06601 5.98809 8.72808 6.34994 4.91212 9.34782 numMergedOcc 0
30 mol 111 unq 1 iso 0 dist 9.06601 5.98809 8.72808 8.26306 9.74162 12.5922 numMergedOcc 0
31 mol 111 unq 2 iso 0 dist 5.98809 9.06601 8.72808 6.34994 9.34782 4.91212 numMergedOcc 0
32 mol 113 unq 0 iso 0 dist 9.59585 9.7073 9.78508 5.37655 7.02358 11.6135 numMergedOcc 0
33 mol 113 unq 1 iso 0 dist 7.02367 9.30832 10.8127 13.0914 7.02358 13.6813 numMergedOcc 0
34 mol 113 unq 2 iso 0 dist 9.30832 7.02367 10.8127 10.2689 9.14336 13.815 numMergedOcc 0
35 mol 115 unq 0 iso 0 dist 4.76974 8.0336 3.66281 3.98154 5.86379 8.64686 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 4.76974 8.0336 3.66281 6.61688 6.21029 8.16325 numMergedOcc 0
37 mol 115 unq 2 iso 0 dist 8.0336 4.76974 3.66281 3.98154 8.64686 5.86379 numMergedOcc 0
38 mol 115 unq 3 iso 0 dist 8.0336 4.76974 3.66281 6.61688 8.16325 6.21029 numMergedOcc 0
39 mol 115 unq 4 iso 0 dist 5.93278 6.19918 3.19822 4.18693 5.86379 6.21029 numMergedOcc 0
40 mol 115 unq 5 iso 0 dist 5.93278 6.19918 3.19822 7.41059 8.64686 8.16325 numMergedOcc 0
41 mol 115 unq 6 iso 0 dist 6.19918 5.93278 3.19822 4.18693 6.21029 5.86379 numMergedOcc 0
42 mol 115 unq 7 iso 0 dist 6.19918 5.93278 3.19822 7.41059 8.16325 8.64686 numMergedOcc 0
43 mol 117 unq 0 iso 0 dist 7.78789 7.42146 9.77711 4.46691 9.02015 11.2109 numMergedOcc 0
44 mol 120 unq 0 iso 0 dist 7.53694 8.38358 5.26524 3.824 7.84207 6.98791 numMergedOcc 0
45 mol 120 unq 1 iso 0 dist 7.53694 8.38358 5.26524 4.96885 8.56947 11.3644 numMergedOcc 0
46 mol 120 unq 2 iso 0 dist 8.38358 7.53694 5.26524 9.4846 9.31385 11.8836 numMergedOcc 0
47 mol 120 unq 3 iso 0 dist 8.38358 7.53694 5.26524 3.824 6.98791 7.84207 numMergedOcc 0
48 mol 120 unq 4 iso 0 dist 6.42623 8.95899 8.68088 5.61274 7.84207 8.56947 numMergedOcc 0
49 mol 120 unq 5 iso 0 dist 6.42623 8.95899 8.68088 3.35803 6.98791 11.3644 numMergedOcc 0
50 mol 120 unq 6 iso 0 dist 8.95899 6.42623 8.68088 5.61274 8.56947 7.84207 numMergedOcc 0
51 mol 169 unq 0 iso 0 dist 9.37946 9.13646 9.48187 5.38859 6.96715 11.3131 numMergedOcc 0
52 mol 169 unq 1 iso 0 dist 9.37946 8.34216 12.9271 5.38859 6.96715 12.6178 numMergedOcc 0
53 mol 198 unq 0 iso 0 dist 8.08471 6.77156 10.4205 4.27652 7.38825 10.6266 numMergedOcc 0
54 mol 198 unq 1 iso 0 dist 8.08471 7.97894 8.69074 4.27652 7.38825 10.0094 numMergedOcc 0
55 mol 213 unq 0 iso 0 dist 9.09354 4.66576 11.4531 3.62097 7.93317 8.24178 numMergedOcc 0
56 mol 213 unq 1 iso 0 dist 4.66576 9.09354 11.4531 7.49785 9.71831 14.9013 numMergedOcc 0
57 mol 253 unq 0 iso 0 dist 5.77511 9.19385 13.6905 10.0874 8.66299 14.1344 numMergedOcc 0
58 mol 253 unq 1 iso 0 dist 5.77511 7.14243 5.35859 10.0874 8.66299 10.9358 numMergedOcc 0
59 mol 253 unq 2 iso 0 dist 5.77511 7.81382 3.10832 10.0874 8.66299 11.5048 numMergedOcc 0
60 mol 253 unq 3 iso 0 dist 9.27311 8.94786 17.0369 5.10494 8.66299 13.7163 numMergedOcc 0
61 mol 253 unq 4 iso 0 dist 9.27311 9.1927 13.6905 5.10494 8.66299 14.1344 numMergedOcc 0
62 mol 253 unq 5 iso 0 dist 9.27311 9.60694 5.35859 5.10494 8.66299 10.9358 numMergedOcc 0
63 mol 277 unq 0 iso 0 dist 5.69112 7.2091 3.75238 11.8607 7.98956 11.2004 numMergedOcc 0
64 mol 277 unq 1 iso 0 dist 5.69112 7.2091 3.75238 10.9137 5.86185 8.41856 numMergedOcc 0
65 mol 277 unq 2 iso 0 dist 5.69112 7.2091 3.75238 5.09884 6.79748 6.53598 numMergedOcc 0
66 mol 277 unq 3 iso 0 dist 7.2091 5.69112 3.75238 5.09884 6.53598 6.79748 numMergedOcc 0
67 mol 277 unq 4 iso 0 dist 4.9764 6.36559 3.41319 7.75371 7.98956 5.86185 numMergedOcc 0
68 mol 277 unq 5 iso 0 dist 6.36559 4.9764 3.41319 7.75371 5.86185 7.98956 numMergedOcc 0
69 mol 281 unq 0 iso 0 dist 5.50053 7.33334 3.77058 12.8596 7.90368 9.46544 numMergedOcc 0
70 mol 281 unq 1 iso 0 dist 5.50053 7.33334 3.77058 5.19196 6.69267 6.56886 numMergedOcc 0
71 mol 281 unq 2 iso 0 dist 7.33334 5.50053 3.77058 11.0049 5.33372 8.70938 numMergedOcc 0
72 mol 281 unq 3 iso 0 dist 7.33334 5.50053 3.77058 5.19196 6.56886 6.69267 numMergedOcc 0
73 mol 292 unq 0 iso 0 dist 4.49592 6.69619 3.75963 7.22011 8.07775 11.8025 numMergedOcc 0
