0 mol 73 unq 0 iso 0 dist 9.78545 14.2026 9.58544 13.1304 8.14547 4.4893 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 9.97998 9.27925 9.58544 7.76917 8.14547 4.4893 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.93688 4.71849 9.514 13.7708 9.22123 11.2088 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 9.93688 4.71849 9.514 14.5838 7.36335 12.3859 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 9.93688 4.32564 7.84888 13.7708 9.22123 9.85862 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 9.93688 4.32564 7.84888 14.5838 7.36335 13.4866 numMergedOcc 0
6 mol 92 unq 4 iso 0 dist 9.88184 9.24395 9.514 11.0283 9.22123 11.2088 numMergedOcc 0
7 mol 92 unq 5 iso 0 dist 9.88184 9.24395 9.514 16.6198 7.36335 12.3859 numMergedOcc 0
8 mol 92 unq 6 iso 0 dist 9.88184 4.33359 7.84888 11.0283 9.22123 9.85862 numMergedOcc 0
9 mol 92 unq 7 iso 0 dist 9.88184 4.33359 7.84888 16.6198 7.36335 13.4866 numMergedOcc 0
10 mol 92 unq 8 iso 0 dist 6.78043 7.17015 4.98104 3.68302 7.80279 9.85978 numMergedOcc 0
11 mol 92 unq 9 iso 0 dist 5.74364 4.52119 4.98104 6.29901 7.80279 9.85978 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 6.97361 5.89399 7.88564 7.0263 9.83944 12.7843 numMergedOcc 0
13 mol 101 unq 0 iso 0 dist 5.5199 4.50603 8.77773 9.54415 8.91685 13.7019 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 8.07962 8.58092 9.01767 10.0473 9.61193 16.2013 numMergedOcc 0
15 mol 102 unq 1 iso 0 dist 7.58908 12.5781 9.01767 7.08749 9.61193 16.2013 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 6.53806 9.88413 7.02715 6.57748 7.24503 4.82 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 9.92635 10.0008 7.31181 5.27311 8.58178 8.21023 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 9.92635 10.0008 7.31181 6.58331 4.77438 4.68341 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 9.92635 10.0008 7.31181 12.5326 5.73344 4.49876 numMergedOcc 0
20 mol 183 unq 3 iso 0 dist 7.85507 9.95614 7.31181 3.84394 8.58178 8.21023 numMergedOcc 0
21 mol 183 unq 4 iso 0 dist 7.85507 9.95614 7.31181 5.46887 4.77438 4.68341 numMergedOcc 0
22 mol 183 unq 5 iso 0 dist 7.85507 9.95614 7.31181 11.1336 5.73344 4.49876 numMergedOcc 0
23 mol 185 unq 0 iso 0 dist 5.40655 5.77911 8.04591 3.82689 4.91046 7.1993 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 5.79753 13.0113 8.64255 3.70636 7.06868 11.9685 numMergedOcc 0
25 mol 197 unq 1 iso 0 dist 7.56537 4.57437 8.64255 8.82321 7.06868 11.9685 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.32657 10.7813 7.07183 15.4907 9.88692 12.6762 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 9.32657 10.7813 7.07183 11.6653 9.38368 15.4812 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 6.09754 4.78067 8.43584 3.83801 5.32465 7.35363 numMergedOcc 0
29 mol 211 unq 0 iso 0 dist 7.38723 3.99353 8.63308 3.56019 8.13147 7.53096 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 5.01229 4.67262 4.58599 5.63478 6.81437 3.62097 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 8.20243 4.7157 5.56719 12.314 9.91332 11.003 numMergedOcc 0
32 mol 255 unq 0 iso 0 dist 8.22083 12.7687 6.57549 16.1055 8.47155 5.22218 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 9.4886 11.9201 5.81927 10.3385 9.30975 5.82277 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 9.4886 8.27707 6.09782 10.3385 9.30975 4.83605 numMergedOcc 0
35 mol 265 unq 0 iso 0 dist 6.98812 5.58514 9.59213 13.0312 6.80043 14.7514 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 9.12505 8.06201 7.89852 9.88674 8.5948 5.04315 numMergedOcc 0
