0 mol 2 unq 0 iso 0 dist 6.60948 10.0512 9.74371 5.24374 6.35342 9.97525 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 5.80034 6.73272 9.67498 14.8431 9.85726 15.0231 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 5.80034 10.5313 9.32945 14.8431 9.85726 17.302 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.83056 10.5313 9.90117 13.9585 7.21217 6.96396 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 6.27964 5.37263 9.36555 4.37231 6.79478 9.67404 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 5.8689 10.9407 9.36555 4.80143 6.79478 9.67404 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.00221 13.2356 7.8986 4.23724 6.6003 9.48441 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 8.00221 13.2356 7.8986 9.75948 6.44118 4.76091 numMergedOcc 0
8 mol 64 unq 2 iso 0 dist 8.00221 9.65826 7.24183 4.23724 6.6003 6.41829 numMergedOcc 0
9 mol 64 unq 3 iso 0 dist 8.00221 9.65826 7.24183 9.75948 6.44118 6.13923 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.28942 4.85983 9.35633 15.3149 9.59261 16.255 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 7.28942 4.85983 9.35633 6.69791 6.67936 9.75148 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 7.28942 4.85983 9.35633 10.9221 8.25817 15.2099 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 6.98876 6.70235 5.61016 4.58978 7.88564 9.7552 numMergedOcc 0
14 mol 108 unq 0 iso 0 dist 6.29966 11.6785 9.32474 10.051 7.29462 5.60268 numMergedOcc 0
15 mol 108 unq 1 iso 0 dist 9.31725 18.4744 9.32474 15.8859 7.29462 5.60268 numMergedOcc 0
16 mol 108 unq 2 iso 0 dist 9.57358 17.9911 9.32474 14.7085 7.29462 5.60268 numMergedOcc 0
17 mol 108 unq 3 iso 0 dist 5.38329 8.02422 9.32474 4.56297 7.29462 5.60268 numMergedOcc 0
18 mol 108 unq 4 iso 0 dist 7.62421 8.02422 8.80334 4.56297 5.4057 5.60268 numMergedOcc 0
19 mol 111 unq 0 iso 0 dist 5.05141 10.2176 8.83191 4.41283 8.42147 13.3198 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 9.50807 9.15449 7.25133 5.81216 7.11388 4.57807 numMergedOcc 0
21 mol 126 unq 1 iso 0 dist 9.50807 9.15449 7.25133 10.9837 8.83131 13.2652 numMergedOcc 0
22 mol 126 unq 2 iso 0 dist 9.50807 8.24148 9.33622 5.81216 7.11388 10.1683 numMergedOcc 0
23 mol 126 unq 3 iso 0 dist 9.50807 8.24148 9.33622 10.9837 8.83131 5.27125 numMergedOcc 0
24 mol 132 unq 0 iso 0 dist 7.79845 6.84485 8.15549 10.5943 7.70349 10.469 numMergedOcc 0
25 mol 165 unq 0 iso 0 dist 6.35749 9.92656 8.64349 7.60464 9.78437 5.10218 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 8.12739 9.30712 6.03184 8.65331 9.57611 5.52686 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 8.12739 9.30712 6.03184 6.87887 5.08206 5.73338 numMergedOcc 0
28 mol 178 unq 0 iso 0 dist 9.56963 7.45885 8.14441 16.8486 8.0974 13.6129 numMergedOcc 0
29 mol 178 unq 1 iso 0 dist 5.95885 6.49969 8.14441 11.6817 8.0974 13.6129 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.02183 7.11843 6.47689 10.3296 6.43406 4.681 numMergedOcc 0
31 mol 198 unq 0 iso 0 dist 7.2078 7.26405 4.58291 10.5082 6.47339 4.81051 numMergedOcc 0
32 mol 210 unq 0 iso 0 dist 8.14413 12.3207 6.24111 5.06314 9.67457 13.3929 numMergedOcc 0
33 mol 210 unq 1 iso 0 dist 8.14413 12.2935 9.00343 5.06314 9.67457 12.3088 numMergedOcc 0
34 mol 210 unq 2 iso 0 dist 8.14413 9.89233 6.41444 5.06314 9.67457 13.3774 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 5.59164 4.63444 5.57184 5.77573 6.83152 9.76195 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 5.59164 4.63444 5.57184 4.67735 5.24313 7.01206 numMergedOcc 0
37 mol 238 unq 2 iso 0 dist 6.86905 5.98533 5.33462 5.88384 5.56719 6.3873 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 5.69868 5.77901 6.00654 5.04077 9.37996 10.1196 numMergedOcc 0
39 mol 249 unq 0 iso 0 dist 8.9281 7.05054 6.18866 5.0425 5.78121 6.28944 numMergedOcc 0
40 mol 249 unq 1 iso 0 dist 8.9281 7.05054 6.18866 12.6924 7.29898 12.5843 numMergedOcc 0
41 mol 255 unq 0 iso 0 dist 6.62375 6.73 6.25315 4.52117 6.57549 6.92177 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 7.42888 5.83092 8.97411 5.29393 5.73296 4.6881 numMergedOcc 0
43 mol 258 unq 1 iso 0 dist 8.8726 4.69752 7.70189 6.60345 8.58088 9.78068 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 9.23807 11.8473 7.61232 5.0006 9.01085 8.57403 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 9.23807 11.8473 7.61232 7.59549 6.28512 8.70128 numMergedOcc 0
46 mol 264 unq 2 iso 0 dist 8.49619 9.06135 7.61232 12.0886 9.01085 8.57403 numMergedOcc 0
47 mol 264 unq 3 iso 0 dist 8.49619 9.06135 7.61232 7.58851 6.28512 8.70128 numMergedOcc 0
48 mol 282 unq 0 iso 0 dist 5.72197 5.5267 7.93511 4.36798 5.67266 9.67023 numMergedOcc 0
49 mol 285 unq 0 iso 0 dist 7.2491 6.85219 4.74716 12.5075 8.71213 5.93692 numMergedOcc 0
