0 mol 25 unq 0 iso 0 dist 7.0928 6.98291 9.20601 6.32132 5.04899 6.6492 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.61029 9.32113 15.8943 14.3476 8.34347 22.3469 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.16827 9.32155 5.48048 7.23774 5.73819 8.44903 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.16827 9.32155 5.48048 12.092 6.20293 10.0649 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 9.16827 9.32155 5.48048 10.7423 8.93915 13.5072 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 7.68916 8.96804 6.61767 11.9986 9.80098 13.8889 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 7.68916 8.96804 6.61767 13.3091 7.34143 13.6482 numMergedOcc 0
7 mol 52 unq 2 iso 0 dist 7.47417 7.23669 6.61767 8.90624 9.80098 13.8889 numMergedOcc 0
8 mol 52 unq 3 iso 0 dist 7.47417 7.23669 6.61767 13.0115 7.34143 13.6482 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 7.15486 8.49198 10.7769 6.58144 6.64012 14.0864 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 7.15486 8.49198 10.7769 4.98107 9.4099 13.0252 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 7.15486 9.57633 6.37648 6.58144 6.64012 7.27383 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 7.15486 9.57633 6.37648 4.98107 9.4099 12.5444 numMergedOcc 0
13 mol 58 unq 4 iso 0 dist 8.52969 8.49198 9.1329 11.6772 6.81627 14.9326 numMergedOcc 0
14 mol 58 unq 5 iso 0 dist 8.52969 8.49198 9.1329 9.0406 7.32874 14.7138 numMergedOcc 0
15 mol 58 unq 6 iso 0 dist 8.52969 8.49198 9.1329 4.98107 9.55426 13.0252 numMergedOcc 0
16 mol 58 unq 7 iso 0 dist 8.52969 9.57633 15.935 11.6772 6.81627 20.4092 numMergedOcc 0
17 mol 58 unq 8 iso 0 dist 8.52969 9.57633 15.935 9.0406 7.32874 16.5117 numMergedOcc 0
18 mol 58 unq 9 iso 0 dist 8.52969 9.57633 15.935 4.98107 9.55426 12.5444 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 8.22406 8.99661 7.24315 5.41023 9.64443 6.61823 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 7.65229 5.82495 3.98564 5.43987 9.60462 7.23962 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 7.65229 5.82495 3.98564 9.7695 7.45389 7.30204 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 8.59784 9.89116 3.78311 9.70986 8.73993 7.77116 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 8.72463 7.52352 10.8441 14.0766 5.99315 13.4668 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 6.01118 7.25142 7.17024 9.73148 6.69288 11.7786 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 7.36642 9.8747 5.54129 4.87114 6.03031 10.8209 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 7.36642 9.8747 5.54129 9.43922 7.26832 10.0424 numMergedOcc 0
27 mol 205 unq 2 iso 0 dist 7.36642 9.8747 5.54129 6.98312 7.80463 10.03 numMergedOcc 0
28 mol 205 unq 3 iso 0 dist 7.36642 8.01082 5.28092 4.87114 6.03031 8.44861 numMergedOcc 0
29 mol 205 unq 4 iso 0 dist 7.36642 8.01082 5.28092 9.43922 7.26832 5.60393 numMergedOcc 0
30 mol 205 unq 5 iso 0 dist 7.36642 8.01082 5.28092 6.98312 7.80463 11.3521 numMergedOcc 0
31 mol 214 unq 0 iso 0 dist 9.01896 8.45863 10.2399 7.3913 8.82096 8.46327 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 7.80166 6.52129 10.7551 6.77788 5.72887 11.2809 numMergedOcc 0
33 mol 276 unq 0 iso 0 dist 7.11272 8.96556 11.3441 5.75852 6.87396 10.0283 numMergedOcc 0
