0 mol 26 unq 0 iso 0 dist 6.32127 9.77186 9.5053 4.56199 6.7142 13.4114 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 6.72703 5.92019 6.99108 3.82305 9.54323 9.20886 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.3797 8.99948 8.91427 12.0803 7.98985 8.69385 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.7389 11.5471 9.75201 7.7447 7.46095 6.48293 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 8.60172 8.60231 7.09806 10.5216 7.77089 9.02856 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 6.73172 12.468 9.77017 7.35282 8.72725 8.59786 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 6.73172 12.468 9.77017 8.43423 6.11407 9.00531 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 9.14007 5.74529 6.94988 6.48796 5.29898 5.25982 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 5.80081 6.27844 9.78667 7.09621 7.42144 12.6553 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 5.80081 6.27844 9.78667 7.46533 6.27658 13.5035 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 5.80081 6.2491 8.47026 7.09621 7.42144 10.1588 numMergedOcc 0
11 mol 141 unq 4 iso 0 dist 5.80081 6.2491 8.47026 7.46533 6.27658 11.7454 numMergedOcc 0
12 mol 141 unq 5 iso 0 dist 9.45931 12.0446 6.73983 11.3431 9.27009 14.228 numMergedOcc 0
13 mol 141 unq 6 iso 0 dist 9.45931 15.1652 8.6387 11.3431 9.27009 14.0232 numMergedOcc 0
14 mol 141 unq 7 iso 0 dist 6.49728 6.27844 6.73983 14.123 9.27009 14.228 numMergedOcc 0
15 mol 141 unq 8 iso 0 dist 6.49728 6.2491 8.6387 14.123 9.27009 14.0232 numMergedOcc 0
16 mol 141 unq 9 iso 0 dist 6.35397 12.0446 7.64956 12.017 6.65731 8.48213 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 9.90113 8.33753 7.58035 16.0614 8.33407 10.2189 numMergedOcc 0
18 mol 162 unq 1 iso 0 dist 9.90113 9.62474 8.21989 16.0614 8.33407 11.1329 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.38735 5.26093 4.5271 9.49267 6.56416 5.40422 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 9.38735 5.26093 4.5271 9.90173 6.88127 6.38897 numMergedOcc 0
21 mol 196 unq 0 iso 0 dist 5.21339 8.34009 9.76411 10.7178 8.48879 6.66311 numMergedOcc 0
22 mol 196 unq 1 iso 0 dist 5.21339 8.34009 9.76411 9.37254 5.89591 10.8013 numMergedOcc 0
23 mol 196 unq 2 iso 0 dist 5.21339 8.34009 9.76411 12.899 9.72376 17.0364 numMergedOcc 0
24 mol 196 unq 3 iso 0 dist 6.34867 11.9044 9.76411 10.3148 8.48879 6.66311 numMergedOcc 0
25 mol 196 unq 4 iso 0 dist 6.34867 11.9044 9.76411 4.06845 5.89591 10.8013 numMergedOcc 0
26 mol 196 unq 5 iso 0 dist 6.34867 11.9044 9.76411 5.57156 9.72376 17.0364 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 6.21588 10.2224 5.91727 6.6094 9.48625 9.54203 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 8.95444 7.41011 8.89892 5.62448 6.85663 7.20313 numMergedOcc 0
29 mol 256 unq 1 iso 0 dist 7.53508 11.8833 8.89892 6.54518 6.85663 7.20313 numMergedOcc 0
