0 mol 43 unq 0 iso 0 dist 8.47617 17.2393 9.74445 14.2755 9.02471 5.46849 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 8.07716 9.01453 9.35818 3.3881 5.51927 7.4961 numMergedOcc 0
2 mol 81 unq 1 iso 0 dist 5.78829 6.45693 9.35818 3.93741 5.51927 7.4961 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 8.1306 9.6516 5.25492 9.44658 9.10911 7.32685 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 7.42431 6.48732 8.42147 3.83194 9.06601 10.3018 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 7.42431 6.48732 8.42147 5.56913 5.98809 4.88926 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 8.054 5.27855 8.33083 10.2953 4.42563 12.2092 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 7.94863 4.59384 7.83619 5.17954 5.92733 4.81304 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 7.94863 12.3068 9.91643 5.17954 5.92733 11.0219 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.05674 5.48547 8.84018 5.27905 5.78814 3.75786 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.0847 17.3026 9.10619 5.0146 9.00072 17.3816 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 6.00061 4.14546 9.74498 5.0146 7.55419 6.37913 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 6.90813 4.86466 8.76218 6.4785 5.61673 9.23383 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 7.14849 7.17894 8.0974 8.84201 4.72821 12.4011 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 8.63718 15.0874 8.0974 7.09333 4.72821 12.4011 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 9.98332 13.3321 6.47339 7.79482 6.77156 6.52619 numMergedOcc 0
16 mol 198 unq 1 iso 0 dist 9.98332 13.3321 6.47339 8.97088 7.97894 9.94769 numMergedOcc 0
17 mol 198 unq 2 iso 0 dist 9.98332 13.3321 6.47339 15.9886 8.08471 8.48501 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 8.48081 11.6202 4.58599 5.16198 9.09354 10.5963 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 8.48081 11.6202 4.58599 12.1593 4.66576 5.36904 numMergedOcc 0
20 mol 213 unq 2 iso 0 dist 8.48081 15.8119 8.78568 5.16198 9.09354 13.711 numMergedOcc 0
21 mol 213 unq 3 iso 0 dist 8.48081 15.8119 8.78568 12.1593 4.66576 4.84414 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 8.95261 13.3046 5.36776 7.65595 9.6834 12.8843 numMergedOcc 0
23 mol 257 unq 1 iso 0 dist 7.80336 11.62 5.36776 3.41163 9.6834 12.8843 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 5.89409 13.0023 9.59213 3.42654 8.54108 13.876 numMergedOcc 0
25 mol 265 unq 1 iso 0 dist 7.45719 12.5955 9.59213 5.12694 8.54108 13.876 numMergedOcc 0
26 mol 265 unq 2 iso 0 dist 7.83102 10.5845 8.1498 13.3937 9.28128 8.3919 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 9.64889 6.7593 6.90434 13.4595 4.9764 11.5613 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 9.64889 6.7593 6.90434 13.6295 6.36559 13.0566 numMergedOcc 0
