0 mol 24 unq 0 iso 0 dist 7.86009 14.9943 8.86116 16.6223 10.0952 6.86014 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.84098 10.9752 7.2846 10.4102 5.24762 6.43774 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.71137 4.50067 7.71095 12.5293 12.5396 8.84665 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 6.71137 4.50067 7.71095 9.76242 8.19458 8.25513 numMergedOcc 0
4 mol 59 unq 2 iso 0 dist 8.92441 6.75698 6.85766 9.94385 10.0246 7.71095 numMergedOcc 0
5 mol 59 unq 3 iso 0 dist 9.76242 4.50067 8.25513 6.71137 8.19458 7.71095 numMergedOcc 0
6 mol 59 unq 4 iso 0 dist 9.76242 4.50067 8.25513 12.5293 6.40295 8.84665 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 9.60343 5.30537 6.65595 13.7079 6.54743 8.90863 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 9.60343 10.7956 6.43294 18.3775 10.1562 8.33063 numMergedOcc 0
9 mol 60 unq 2 iso 0 dist 9.60343 10.7956 6.43294 14.8208 5.67502 8.7531 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 6.58196 5.88526 6.65595 12.2272 6.54743 8.90863 numMergedOcc 0
11 mol 60 unq 4 iso 0 dist 6.58196 7.64117 6.43294 14.8839 10.1562 8.33063 numMergedOcc 0
12 mol 60 unq 5 iso 0 dist 6.58196 7.64117 6.43294 12.1151 5.67502 8.7531 numMergedOcc 0
13 mol 60 unq 6 iso 0 dist 9.51311 10.5884 6.43294 16.2308 10.6819 6.65595 numMergedOcc 0
14 mol 60 unq 7 iso 0 dist 9.51311 10.5884 6.43294 16.3591 11.3621 9.25011 numMergedOcc 0
15 mol 60 unq 8 iso 0 dist 9.51311 10.5884 6.43294 13.0319 5.51199 8.52121 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 7.10826 12.5046 9.96396 10.8452 5.4148 6.19304 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 7.10826 12.5046 9.96396 12.7852 14.9342 8.70481 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 9.21974 4.98767 7.47541 11.9953 6.9948 7.97049 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 9.21974 7.47375 7.66905 15.0336 10.7229 7.95579 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 9.21974 7.47375 7.66905 11.9953 6.9948 6.19965 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 7.92708 4.43203 9.60661 5.1385 5.88134 6.65086 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.92708 9.84997 9.35224 5.1385 5.88134 6.56369 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 6.26262 5.96628 6.45675 5.1385 5.33144 7.47343 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 6.26262 5.96628 6.45675 12.8865 9.71151 8.86688 numMergedOcc 0
25 mol 100 unq 4 iso 0 dist 5.1385 5.96628 7.47343 6.26262 5.33144 6.45675 numMergedOcc 0
26 mol 100 unq 5 iso 0 dist 5.1385 5.96628 7.47343 12.8865 10.1407 8.86688 numMergedOcc 0
27 mol 100 unq 6 iso 0 dist 5.1385 4.43203 6.65086 7.92708 5.88134 9.60661 numMergedOcc 0
28 mol 100 unq 7 iso 0 dist 5.1385 9.84997 6.56369 7.92708 5.88134 9.35224 numMergedOcc 0
29 mol 100 unq 8 iso 0 dist 4.86758 9.59578 7.47343 11.7039 8.8807 6.65086 numMergedOcc 0
30 mol 100 unq 9 iso 0 dist 4.86758 9.59578 7.47343 13.295 12.6515 6.56369 numMergedOcc 0
31 mol 100 unq 10 iso 0 dist 4.86758 9.59578 7.47343 15.9765 13.887 9.30209 numMergedOcc 0
32 mol 109 unq 0 iso 0 dist 7.58993 9.89982 7.34473 12.1122 7 8.58044 numMergedOcc 0
33 mol 109 unq 1 iso 0 dist 7.58993 9.89982 7.34473 15.7263 8.40993 9.97763 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 6.62424 11.3434 6.90986 15.8317 10.498 7.11972 numMergedOcc 0
35 mol 117 unq 0 iso 0 dist 8.08241 13.9096 7.90328 13.4159 7.22206 7.83136 numMergedOcc 0
36 mol 117 unq 1 iso 0 dist 8.08241 13.9096 7.90328 17.3251 9.3584 7.0603 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 7.30166 7.3338 7.12972 10.4653 5.55373 8.40312 numMergedOcc 0
38 mol 131 unq 1 iso 0 dist 7.30166 7.3338 7.12972 9.82508 6.63273 6.85062 numMergedOcc 0
39 mol 131 unq 2 iso 0 dist 9.82508 7.3338 6.85062 10.4653 10.7062 8.40312 numMergedOcc 0
40 mol 131 unq 3 iso 0 dist 9.82508 7.3338 6.85062 7.30166 6.63273 7.12972 numMergedOcc 0
41 mol 142 unq 0 iso 0 dist 8.60866 10.051 9.2313 12.2357 5.50998 7.73169 numMergedOcc 0
42 mol 142 unq 1 iso 0 dist 8.60866 10.051 9.2313 15.9028 11.1395 8.96657 numMergedOcc 0
43 mol 142 unq 2 iso 0 dist 8.60866 5.56494 5.31024 12.2357 5.50998 7.26382 numMergedOcc 0
44 mol 253 unq 0 iso 0 dist 8.77809 8.48607 8.31064 11.4601 8.02948 6.73034 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 9.69505 8.29338 9.361 13.1762 10.3202 6.24356 numMergedOcc 0
