0 mol 27 unq 0 iso 0 dist 8.28463 7.90154 10.1814 15.6378 19.1612 9.58751 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 8.60577 6.96665 11.3377 11.5007 18.7464 9.40835 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.89185 5.86276 5.22036 10.4124 12.2138 7.03887 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 6.89185 5.86276 5.22036 7.98347 10.167 5.36451 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 6.89185 5.86276 5.22036 14.0883 13.9695 9.28354 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 7.97217 5.86276 5.7835 10.4124 12.0133 7.03887 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 7.97217 5.86276 5.7835 7.98347 10.9893 5.36451 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 7.97217 5.86276 5.7835 14.0883 13.312 9.28354 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 7.80757 8.16546 4.92509 13.7086 7.91148 7.03887 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 7.80757 8.16546 4.92509 10.9209 6.59794 5.36451 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 7.80757 8.16546 4.92509 15.7494 8.34957 9.28354 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 5.5849 8.16546 5.22036 13.7086 12.2138 7.03887 numMergedOcc 0
12 mol 78 unq 10 iso 0 dist 5.5849 8.16546 5.22036 10.9209 10.167 5.36451 numMergedOcc 0
13 mol 78 unq 11 iso 0 dist 5.5849 8.16546 5.22036 15.7494 13.9695 9.28354 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 9.64856 8.78173 5.47714 4.51272 11.6508 9.24546 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 6.38977 8.78173 8.94456 4.51272 10.5762 9.24546 numMergedOcc 0
16 mol 131 unq 2 iso 0 dist 9.69757 8.78173 14.0333 4.51272 14.1103 9.24546 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 4.93035 9.82638 7.57216 6.0008 7.46621 6.40751 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 9.75558 9.82638 12.6352 6.0008 13.6589 6.40751 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 8.72463 4.86894 5.44503 10.7652 8.99891 8.08798 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 7.68247 9.25461 6.62321 6.93719 11.9848 9.87719 numMergedOcc 0
21 mol 197 unq 0 iso 0 dist 6.22696 9.49122 5.2908 7.21941 9.23086 9.77656 numMergedOcc 0
22 mol 197 unq 1 iso 0 dist 6.22696 9.49122 5.2908 6.62989 9.76879 9.6071 numMergedOcc 0
23 mol 197 unq 2 iso 0 dist 8.12158 9.49122 10.5397 7.21941 8.37086 9.77656 numMergedOcc 0
24 mol 197 unq 3 iso 0 dist 8.12158 9.49122 10.5397 6.62989 13.8052 9.6071 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 6.83122 6.74861 6.67959 5.96128 12.5607 9.86587 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 5.52981 8.39955 4.54272 6.50485 6.09255 9.39609 numMergedOcc 0
27 mol 218 unq 1 iso 0 dist 6.22077 8.39955 6.8949 6.50485 10.0144 9.39609 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 7.2527 5.3853 5.11565 4.72232 11.8376 8.71877 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 7.13194 5.3853 11.0401 4.72232 9.76893 8.71877 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 6.65024 8.47112 5.9438 9.75881 12.7479 8.6262 numMergedOcc 0
31 mol 283 unq 0 iso 0 dist 7.92491 6.87568 6.86733 5.91899 9.07995 9.06774 numMergedOcc 0
32 mol 283 unq 1 iso 0 dist 7.92491 6.87568 6.86733 8.2722 12.3883 7.83424 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 8.84268 7.15628 9.10274 13.9077 17.2067 9.33755 numMergedOcc 0
34 mol 294 unq 1 iso 0 dist 8.84268 7.15628 9.10274 12.9168 11.0935 6.25334 numMergedOcc 0
