0 mol 7 unq 0 iso 0 dist 9.58865 7.32392 8.54694 13.2235 9.76779 16.343 15.5277 13.7966 9.60499 20.3011 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.65729 8.4361 5.64581 9.93633 9.51574 8.86163 5.39064 6.29703 4.86568 5.58451 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.72142 6.28033 5.59769 10.1908 9.51574 12.359 5.40044 8.47315 4.7319 11.0043 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 7.72142 6.28033 5.59769 4.49982 9.39137 9.29952 5.40044 8.47315 4.7319 6.73304 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 8.39015 8.44515 10.4263 8.74347 9.46251 11.0606 6.1985 12.6828 5.83409 11.6072 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 9.2046 7.51061 10.6667 5.07258 9.0224 8.21889 5.29855 13.1633 7.34473 5.5332 numMergedOcc 0
6 mol 156 unq 0 iso 0 dist 8.98636 9.19499 8.58765 16.8215 8.99159 14.5125 5.66289 12.0043 7.44554 18.8011 numMergedOcc 0
7 mol 156 unq 1 iso 0 dist 8.98636 7.11647 5.6208 16.8215 8.99159 14.069 5.59399 10.2601 7.66148 19.0354 numMergedOcc 0
8 mol 156 unq 2 iso 0 dist 8.98636 7.11647 5.6208 16.8215 8.99159 14.069 5.66289 12.0043 8.94056 18.8011 numMergedOcc 0
9 mol 156 unq 3 iso 0 dist 8.79185 9.19499 9.07974 6.56752 8.24004 13.7555 5.66289 10.0734 7.44554 9.75421 numMergedOcc 0
10 mol 156 unq 4 iso 0 dist 8.79185 7.11647 5.70205 6.56752 8.24004 10.543 5.59399 6.71202 7.66148 4.08699 numMergedOcc 0
11 mol 156 unq 5 iso 0 dist 8.79185 7.11647 5.70205 6.56752 8.24004 10.543 5.66289 10.0734 8.94056 9.75421 numMergedOcc 0
12 mol 156 unq 6 iso 0 dist 9.04176 9.68507 4.08699 4.87536 8.24004 6.71202 9.75709 10.543 7.66148 5.70205 numMergedOcc 0
13 mol 156 unq 7 iso 0 dist 9.41152 7.98018 4.7382 5.21836 9.61678 9.16591 4.68187 12.6493 9.83699 9.27577 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 9.98645 9.58724 7.31105 5.1021 9.8711 9.23153 14.6296 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 8.58709 6.21273 4.90657 9.98645 9.58724 7.31105 6.29601 12.6756 8.24498 9.52692 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.35766 7.26981 9.56248 7.29241 5.80702 10.9877 9.23512 14.8393 7.32223 15.7189 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 9.35766 7.26981 9.56248 7.29241 5.80702 10.9877 10.8952 17.3894 8.31064 16.9142 numMergedOcc 0
18 mol 256 unq 0 iso 0 dist 8.11884 5.98967 9.07441 5.07886 9.7777 10.9861 6.64029 14.2736 8.29103 9.65469 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 7.4294 5.75874 6.9607 9.33289 9.29355 9.74679 5.20592 10.3594 8.53687 6.59107 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 9.56414 9.95681 4.50761 11.6193 9.50269 9.62828 5.79827 10.2386 8.02547 10.5691 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 9.56414 9.05762 8.80293 11.6193 9.50269 13.3636 5.79827 10.2386 6.05727 10.5691 numMergedOcc 0
