0 mol 1 unq 0 iso 0 dist 8.47429 8.10712 13.3125 8.93851 3.84685 12.8632 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 9.76215 9.9335 17.3641 9.49821 12.0525 15.5299 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 4.85969 5.86346 7.57142 8.3933 4.60834 11.9718 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.12062 9.3613 11.042 4.97286 5.70643 11.8192 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.7961 5.63207 5.41731 9.75898 15.9972 11.0116 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 9.00111 7.6886 10.6021 8.17621 3.87295 8.55838 numMergedOcc 0
6 mol 207 unq 0 iso 0 dist 9.13327 5.65418 8.68034 7.08146 4.73052 9.1418 numMergedOcc 0
7 mol 207 unq 1 iso 0 dist 9.13327 4.70143 8.33283 7.08146 4.73052 5.55728 numMergedOcc 0
8 mol 209 unq 0 iso 0 dist 6.3344 9.20752 9.4614 8.9906 9.9501 17.3105 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 6.62404 5.60195 4.68697 5.79015 4.16126 6.68491 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 9.37847 7.87359 4.68697 6.86637 4.16126 6.68491 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 9.31677 6.3687 9.96567 9.45587 4.31761 12.0828 numMergedOcc 0
12 mol 240 unq 0 iso 0 dist 8.96064 7.84314 9.80287 5.84605 3.96088 6.7559 numMergedOcc 0
13 mol 241 unq 0 iso 0 dist 5.66945 7.16232 4.84498 9.89398 8.94039 13.7032 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 8.07113 6.93654 11.7215 7.43425 5.96176 7.35046 numMergedOcc 0
15 mol 261 unq 1 iso 0 dist 8.07113 9.66298 13.4973 7.43425 5.96176 7.98909 numMergedOcc 0
16 mol 271 unq 0 iso 0 dist 9.27556 7.34621 9.68021 9.22385 9.86334 8.85011 numMergedOcc 0
17 mol 271 unq 1 iso 0 dist 9.27556 7.34621 9.68021 6.56531 5.60228 5.25426 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 8.79625 7.74708 12.7857 9.23937 7.97433 10.8722 numMergedOcc 0
19 mol 278 unq 1 iso 0 dist 8.79625 6.03414 8.84423 9.23937 7.97433 5.63407 numMergedOcc 0
20 mol 278 unq 2 iso 0 dist 8.79625 9.82026 9.74555 9.23937 7.97433 4.53474 numMergedOcc 0
21 mol 278 unq 3 iso 0 dist 9.9609 7.74708 7.53695 9.23937 13.6514 10.8722 numMergedOcc 0
22 mol 278 unq 4 iso 0 dist 9.9609 6.03414 9.58279 9.23937 13.6514 5.63407 numMergedOcc 0
23 mol 278 unq 5 iso 0 dist 9.9609 9.82026 14.3662 9.23937 13.6514 4.53474 numMergedOcc 0
