0 mol 8 unq 0 iso 0 dist 8.89145 9.95165 12.1308 16.9454 18.2144 7.12263 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.89145 9.95165 12.1308 8.95363 13.7261 5.00267 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.92865 9.95165 5.02333 16.9454 11.8288 7.12263 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.92865 9.95165 5.02333 8.95363 7.8922 5.00267 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.78708 8.75332 6.62608 4.93362 10.2326 7.69625 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 7.84393 8.75332 6.49317 4.93362 6.36455 7.69625 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.18518 8.63204 5.18512 11.9235 11.6624 7.69625 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.85331 4.61828 6.00575 13.674 10.7114 9.38831 numMergedOcc 0
8 mol 53 unq 0 iso 0 dist 8.94173 8.83047 13.3355 8.60221 14.3578 4.75776 numMergedOcc 0
9 mol 53 unq 1 iso 0 dist 8.62669 6.95013 8.64107 9.61297 13.0872 4.75776 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 8.04926 6.78356 6.32957 7.66366 12.4436 6.91393 numMergedOcc 0
11 mol 56 unq 1 iso 0 dist 8.04926 6.78356 6.32957 5.79574 10.7765 8.40038 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 7.4371 7.73993 11.8348 4.36531 11.3185 5.46988 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 7.4371 7.73993 11.8348 5.02505 8.67766 9.92553 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 5.81552 6.48223 3.98564 11.9632 13.2485 9.74569 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 7.44784 8.99731 5.61704 4.64486 10.0289 8.71286 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 9.56867 8.99731 7.3094 4.64486 5.74857 8.71286 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 9.04554 6.31314 6.55507 11.8677 14.5836 9.14458 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 6.56115 9.02124 6.94217 11.7732 8.38738 7.3546 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 6.01711 6.81707 5.487 15.0267 14.5662 9.75627 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.03597 4.97005 7.63746 10.0516 14.2415 7.55358 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 8.03597 4.97005 7.63746 5.57831 13.1487 7.60991 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 8.03597 7.22 5.8893 10.0516 14.2415 8.87818 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 7.93727 9.08444 5.70265 3.94313 7.75722 6.89118 numMergedOcc 0
24 mol 240 unq 0 iso 0 dist 6.83069 9.30056 10.6074 8.30926 9.47583 9.53915 numMergedOcc 0
25 mol 240 unq 1 iso 0 dist 9.30995 9.30056 9.23135 8.30926 8.44909 9.53915 numMergedOcc 0
26 mol 281 unq 0 iso 0 dist 9.48968 7.86146 12.462 6.7978 14.2379 4.95189 numMergedOcc 0
27 mol 281 unq 1 iso 0 dist 9.64422 6.67705 12.462 6.60911 14.2379 4.95189 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 8.08993 5.68818 6.4399 13.0591 13.1486 7.97588 numMergedOcc 0
29 mol 284 unq 1 iso 0 dist 7.34344 5.68818 13.016 13.0591 20.2479 7.97588 numMergedOcc 0
