0 mol 7 unq 0 iso 0 dist 9.96415 7.15287 5.99459 14.4257 7.00508 7.78327 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 4.74069 7.46414 7.26639 11.0959 8.71152 8.83233 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.88243 7.93761 5.38524 12.5246 5.77163 7.4785 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.88243 13.2851 8.69057 18.3747 11.7295 8.34191 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.88243 13.2851 8.69057 12.5246 5.77163 6.39747 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.69222 6.97502 6.45841 4.8983 11.9118 8.62079 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.82056 4.30874 5.5087 4.8983 10.0644 7.37171 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 5.82056 6.97502 5.61588 4.8983 10.0644 8.62079 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.09115 4.30874 6.08682 4.8983 12.1501 7.37171 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 9.09115 6.97502 7.83244 4.8983 12.1501 8.62079 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.76849 14.7449 7.80898 18.0285 9.11654 9.07128 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 9.76849 14.7449 7.80898 17.1655 10.8983 6.65615 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 8.33185 6.57937 8.28795 10.6766 6.51576 8.51123 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.31543 4.80675 6.69691 4.4077 9.74071 7.97548 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 9.31543 4.80675 6.69691 8.4874 6.92699 9.64164 numMergedOcc 0
15 mol 129 unq 2 iso 0 dist 8.85652 4.80675 5.51197 4.4077 9.87781 7.97548 numMergedOcc 0
16 mol 129 unq 3 iso 0 dist 8.85652 4.80675 5.51197 8.4874 9.93375 9.64164 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 8.62632 11.6877 6.89918 13.0474 6.96373 5.77186 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 9.70788 10.1013 7.36975 18.95 14.4074 8.99891 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 6.68265 5.12696 7.55934 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 9.40483 7.17016 6.59889 7.78842 5.12696 7.55934 numMergedOcc 0
21 mol 152 unq 2 iso 0 dist 9.44172 6.62991 8.9192 6.68265 6.04238 7.55934 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 17.8667 11.4645 8.29467 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 5.27578 9.09826 7.05695 10.129 5.4547 6.93931 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 8.25953 6.51869 7.05695 10.7976 5.4547 6.93931 numMergedOcc 0
25 mol 186 unq 2 iso 0 dist 6.49577 8.24478 8.73533 4.79423 3.60793 5.90765 numMergedOcc 0
26 mol 186 unq 3 iso 0 dist 9.76574 10.0248 8.73533 10.6456 3.60793 5.90765 numMergedOcc 0
27 mol 251 unq 0 iso 0 dist 5.62261 6.33949 7.39775 6.06154 5.79539 8.45764 numMergedOcc 0
28 mol 251 unq 1 iso 0 dist 8.07576 7.54315 6.50357 8.15014 3.45567 8.45764 numMergedOcc 0
29 mol 251 unq 2 iso 0 dist 6.17824 6.33949 6.50357 6.06154 3.45567 8.45764 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.91103 10.4297 5.46926 4.1545 5.9732 7.42932 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 9.91103 5.77904 8.9682 4.1545 5.9732 4.9764 numMergedOcc 0
32 mol 277 unq 2 iso 0 dist 9.91103 5.77904 8.9682 4.25172 8.61922 6.36559 numMergedOcc 0
33 mol 277 unq 3 iso 0 dist 7.0603 10.4297 5.13913 4.1545 3.79766 7.42932 numMergedOcc 0
34 mol 277 unq 4 iso 0 dist 7.0603 5.77904 6.92711 4.1545 3.79766 4.9764 numMergedOcc 0
35 mol 277 unq 5 iso 0 dist 7.0603 5.77904 6.92711 4.25172 7.07613 6.36559 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 6.24134 9.237 7.80862 14.144 10.2856 6.71946 numMergedOcc 0
37 mol 285 unq 1 iso 0 dist 6.24134 9.237 7.80862 9.30119 8.89122 8.28061 numMergedOcc 0
38 mol 285 unq 2 iso 0 dist 6.24134 9.237 7.80862 7.08681 4.98469 5.03601 numMergedOcc 0
