0 mol 43 unq 0 iso 0 dist 8.47617 17.2393 9.74445 14.2755 9.02471 5.46849 15.4702 9.69698 8.58709 7.80117 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.47617 17.2393 9.74445 14.2755 9.02471 5.46849 14.166 5.90113 7.53564 9.79386 numMergedOcc 0
2 mol 111 unq 0 iso 0 dist 7.42431 6.48732 8.42147 3.83194 9.06601 10.3018 11.5653 10.9559 8.41868 14.2302 numMergedOcc 0
3 mol 111 unq 1 iso 0 dist 7.42431 6.48732 8.42147 5.56913 5.98809 4.88926 11.5653 10.9559 8.41868 11.9364 numMergedOcc 0
4 mol 122 unq 0 iso 0 dist 8.054 5.27855 8.33083 10.2953 4.42563 12.2092 14.342 11.9943 9.44209 16.2696 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 7.94863 4.59384 7.83619 5.17954 5.92733 4.81304 12.0385 10.9365 8.26291 8.12319 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 7.94863 4.59384 7.83619 5.17954 5.92733 4.81304 7.71664 5.63567 7.86001 9.04366 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.0847 17.3026 9.10619 5.0146 9.00072 17.3816 16.6493 9.50073 8.84852 18.0432 numMergedOcc 0
8 mol 174 unq 0 iso 0 dist 6.90813 4.86466 8.76218 6.4785 5.61673 9.23383 11.2247 11.932 8.67807 15.7025 numMergedOcc 0
9 mol 213 unq 0 iso 0 dist 8.48081 11.6202 4.58599 5.16198 9.09354 10.5963 15.02 8.28789 8.84278 16.8412 numMergedOcc 0
10 mol 213 unq 1 iso 0 dist 8.48081 11.6202 4.58599 12.1593 4.66576 5.36904 15.02 8.28789 8.84278 10.0436 numMergedOcc 0
11 mol 257 unq 0 iso 0 dist 8.95261 13.3046 5.36776 7.65595 9.6834 12.8843 12.4676 5.99362 5.65496 15.1379 numMergedOcc 0
12 mol 257 unq 1 iso 0 dist 7.80336 11.62 5.36776 3.41163 9.6834 12.8843 12.7422 5.99362 5.65496 15.1379 numMergedOcc 0
13 mol 265 unq 0 iso 0 dist 5.89409 13.0023 9.59213 3.42654 8.54108 13.876 8.54733 4.36105 8.19772 9.92275 numMergedOcc 0
14 mol 265 unq 1 iso 0 dist 7.45719 12.5955 9.59213 5.12694 8.54108 13.876 10.4913 4.36105 8.19772 9.92275 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 9.64889 6.7593 6.90434 13.4595 4.9764 11.5613 11.8359 16.2915 9.42812 20.9727 numMergedOcc 0
16 mol 277 unq 1 iso 0 dist 9.64889 6.7593 6.90434 13.6295 6.36559 13.0566 11.8359 16.2915 9.42812 22.4051 numMergedOcc 0
