0 mol 43 unq 0 iso 0 dist 9.81698 8.25915 6.29595 11.2139 15.1053 9.02471 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.514 9.22123 11.2088 6.82886 12.4557 4.17838 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 7.84888 9.22123 9.85862 6.82886 10.2618 4.17838 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 9.10229 5.88034 3.48119 8.17186 7.36792 5.54256 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.48243 6.30568 5.81903 7.00572 9.66421 5.78814 numMergedOcc 0
5 mol 142 unq 0 iso 0 dist 8.48413 5.79144 7.69917 13.1936 14.7391 8.04118 numMergedOcc 0
6 mol 142 unq 1 iso 0 dist 8.48413 5.79144 7.69917 12.288 15.1873 8.39035 numMergedOcc 0
7 mol 142 unq 2 iso 0 dist 7.57458 5.79144 4.05822 13.1936 9.2313 8.04118 numMergedOcc 0
8 mol 142 unq 3 iso 0 dist 7.57458 5.79144 4.05822 12.288 7.73169 8.39035 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 7.31181 4.77438 4.68341 5.25981 10.4574 9.1139 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 7.31181 5.73344 4.49876 5.25981 10.4574 9.20677 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 8.64255 7.06868 11.9685 8.69245 11.6759 9.23086 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 8.64255 7.06868 11.9685 4.6678 12.1443 8.37086 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.43584 5.32465 7.35363 6.4623 10.9575 7.13783 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 5.56719 9.91332 11.003 15.5022 16.4238 8.94231 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 5.56719 9.91332 11.003 12.4843 15.1497 8.88652 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 5.56719 9.91332 11.003 7.22173 10.3007 6.46771 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 9.59213 6.80043 14.7514 7.8929 17.3458 5.7944 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 8.57532 9.48076 10.9811 12.7618 15.4304 5.72327 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 8.57532 9.48076 10.9811 13.8339 16.7427 5.81301 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 8.57532 9.48076 10.9811 16.0093 20.4471 9.81201 numMergedOcc 0
21 mol 277 unq 3 iso 0 dist 9.02914 9.48076 16.4508 12.7618 18.9289 5.72327 numMergedOcc 0
22 mol 277 unq 4 iso 0 dist 9.02914 9.48076 16.4508 13.8339 21.6043 5.81301 numMergedOcc 0
23 mol 277 unq 5 iso 0 dist 9.02914 9.48076 16.4508 16.0093 23.542 9.81201 numMergedOcc 0
24 mol 277 unq 6 iso 0 dist 6.90434 9.48076 16.2423 12.7618 18.6087 5.72327 numMergedOcc 0
25 mol 277 unq 7 iso 0 dist 6.90434 9.48076 16.2423 13.8339 20.2357 5.81301 numMergedOcc 0
26 mol 277 unq 8 iso 0 dist 6.90434 9.48076 16.2423 16.0093 21.4727 9.81201 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 8.85762 8.87017 3.51781 4.95798 6.0664 6.01897 numMergedOcc 0
