0 mol 7 unq 0 iso 0 dist 7.5706 6.7985 5.82034 13.6105 8.48947 10.3333 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.5706 6.44736 5.28462 13.6105 8.48947 13.5151 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.28925 9.68596 5.82034 6.88805 8.48947 10.3333 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 9.8099 7.51452 5.095 16.3456 7.93403 9.07213 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 9.8099 6.03547 11.0764 16.3456 7.93403 15.0475 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 5.61656 7.12365 6.10786 7.87571 7.02425 12.7054 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 7.22242 7.12365 8.35022 7.87571 7.69972 12.7054 numMergedOcc 0
7 mol 30 unq 2 iso 0 dist 6.95343 8.1284 6.10786 9.62374 7.02425 12.7054 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 5.63261 7.07339 6.48832 4.02037 8.26797 11.0633 numMergedOcc 0
9 mol 54 unq 1 iso 0 dist 5.63261 7.23317 5.00469 4.02037 8.26797 10.8035 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.70093 8.00003 4.2439 9.85023 6.16682 6.18678 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 6.69217 6.52773 7.03042 8.84069 6.16682 12.1689 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 6.69217 9.23858 10.0127 8.84069 6.16682 12.2731 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 8.02386 7.50013 6.08776 9.80333 9.94521 11.8945 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 8.02386 5.81233 9.67405 9.80333 9.94521 11.022 numMergedOcc 0
15 mol 197 unq 2 iso 0 dist 8.02386 6.92924 6.34927 9.80333 9.94521 13.2588 numMergedOcc 0
16 mol 197 unq 3 iso 0 dist 8.02386 7.14306 12.7634 9.80333 9.94521 16.945 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 8.29133 7.37798 14.6555 10.1881 8.52247 14.4091 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 8.29133 7.73322 4.14961 10.1881 8.52247 11.7032 numMergedOcc 0
19 mol 213 unq 2 iso 0 dist 8.96646 8.14332 4.14961 13.4142 8.52247 11.7032 numMergedOcc 0
20 mol 219 unq 0 iso 0 dist 5.40597 7.59632 9.99563 9.13819 6.83121 15.9637 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 7.72403 9.81425 10.8078 5.53885 9.18416 14.9726 numMergedOcc 0
22 mol 244 unq 0 iso 0 dist 5.29811 5.50492 5.01275 8.57313 6.22884 10.672 numMergedOcc 0
23 mol 244 unq 1 iso 0 dist 5.29811 5.50492 5.01275 6.1597 8.69671 6.53416 numMergedOcc 0
24 mol 244 unq 2 iso 0 dist 5.29811 5.50492 5.01275 5.8752 7.67041 9.32462 numMergedOcc 0
