0 mol 16 unq 0 iso 0 dist 7.65729 8.4361 5.64581 5.39064 6.29703 4.86568 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.72142 6.28033 5.59769 5.40044 8.47315 4.7319 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 7.73836 9.84673 6.42572 5.09542 9.01767 7.36792 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 5.24519 8.81172 6.29427 5.34484 7.70533 9.84395 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 9.40608 6.24392 7.01529 5.50061 9.54928 6.06638 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 8.79185 7.11647 5.70205 5.59399 6.71202 7.66148 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 5.1021 9.8711 9.23153 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 5.01062 8.7347 6.00706 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 numMergedOcc 0
20 mol 224 unq 2 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 numMergedOcc 0
21 mol 224 unq 3 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 5.00735 5.62804 7.07028 6.33989 8.43766 6.7547 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 4.21935 6.83046 5.29737 4.77446 6.37342 6.16342 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 5.13233 8.58088 6.42289 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 5.68643 8.78883 4.97216 7.48637 9.91395 9.10818 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 9.9227 8.80588 4.95798 5.80223 8.85762 6.0664 numMergedOcc 0
