0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 6.49868 7.88043 13.0722 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.20552 13.6107 8.8576 8.07954 8.80762 16.4052 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 7.94714 7.70341 8.51112 4.47407 9.58855 5.58434 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 7.37356 4.84965 8.51213 6.07208 7.55766 7.30279 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.94828 7.11194 6.00307 10.812 6.90155 6.13982 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 6.84521 5.00932 8.99509 10.0977 8.44903 13.4933 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 6.21351 7.84409 6.19867 7.06723 5.92032 9.3456 numMergedOcc 0
7 mol 96 unq 1 iso 0 dist 6.21351 12.0865 8.35452 7.06723 5.92032 5.93362 numMergedOcc 0
8 mol 96 unq 2 iso 0 dist 9.93617 5.68919 6.19867 11.809 5.92032 9.3456 numMergedOcc 0
9 mol 96 unq 3 iso 0 dist 9.93617 14.5513 8.35452 11.809 5.92032 5.93362 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 5.90298 7.26086 10.2492 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 7.54969 5.76482 4.31067 8.8736 7.26086 10.2492 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 6.34542 10.1386 7.42431 6.40295 7.71107 9.30538 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 10.214 8.93905 15.3512 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 5.06555 9.04066 8.14799 10.214 8.93905 14.3305 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 5.24118 4.92088 6.72936 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 8.04723 12.3996 8.63718 5.24118 4.92088 9.74054 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.52413 15.6548 7.09426 12.1191 9.83476 13.9257 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.52413 15.6548 7.09426 10.0766 6.258 7.15761 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 9.79816 12.3761 9.85348 10.5293 8.06216 4.58065 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 9.79816 12.3761 9.85348 10.888 5.76954 10.6818 numMergedOcc 0
21 mol 218 unq 2 iso 0 dist 9.79816 12.3761 9.85348 8.17702 6.29511 12.85 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.97461 5.81253 5.99187 11.3332 5.64181 8.22473 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 6.94654 11.7816 9.93378 9.80929 7.61393 8.22473 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 8.89487 5.81253 9.93378 11.3332 7.61393 8.22473 numMergedOcc 0
25 mol 240 unq 0 iso 0 dist 7.6664 10.8459 7.0935 14.1051 9.47583 3.38705 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 9.2067 10.9933 5.31858 5.00301 7.99477 11.0804 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 9.2067 10.9933 5.31858 5.99575 7.86627 6.65689 numMergedOcc 0
28 mol 258 unq 2 iso 0 dist 9.16078 10.9933 5.71851 5.99575 7.93574 6.65689 numMergedOcc 0
29 mol 271 unq 0 iso 0 dist 7.38758 8.01575 7.06108 5.70894 9.29599 4.87782 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 7.151 8.68474 6.70123 6.63088 6.57903 5.16567 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 8.33977 13.3428 6.70123 14.3997 6.57903 5.16567 numMergedOcc 0
