0 mol 24 unq 0 iso 0 dist 8.3964 10.4819 6.61696 10.0962 7.85986 9.24731 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 10.4819 6.61696 8.56474 4.30252 3.53396 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.3964 5.61248 5.80953 10.0962 7.85986 11.1587 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.3964 5.61248 5.80953 8.56474 4.30252 8.72577 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.98417 6.61393 6.7142 12.6093 9.11311 7.78809 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 6.8073 7.55257 6.03404 10.7407 8.12997 7.01802 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 6.8073 7.55257 6.03404 10.8995 6.13153 6.13982 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 6.8073 7.55257 6.03404 10.5685 5.7836 6.71583 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 6.8073 7.55257 6.03404 5.44298 7.32996 3.34853 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 6.8073 7.55257 6.03404 4.92775 5.89173 5.12352 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 6.42242 7.51675 6.07052 10.3657 7.84895 7.14332 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 6.42242 7.51675 6.07052 10.4457 5.8541 6.15265 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 6.42242 7.51675 6.07052 10.1874 5.82264 6.77378 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 6.42242 7.51675 6.07052 5.39197 7.20729 3.3785 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 6.42242 7.51675 6.07052 4.89976 5.72703 5.14028 numMergedOcc 0
15 mol 55 unq 0 iso 0 dist 9.89804 14.0787 8.70598 8.45962 6.76315 8.04215 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.18097 8.08787 5.05893 6.90443 8.04853 3.65186 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 9.18097 8.08787 5.05893 13.1381 6.46549 5.41777 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 9.18097 10.4844 5.71866 6.90443 8.04853 7.00044 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 9.18097 10.4844 5.71866 13.1381 6.46549 5.85247 numMergedOcc 0
20 mol 85 unq 4 iso 0 dist 8.83135 11.053 5.05893 14.6513 8.04853 3.65186 numMergedOcc 0
21 mol 85 unq 5 iso 0 dist 8.83135 11.053 5.05893 9.99421 6.46549 5.41777 numMergedOcc 0
22 mol 85 unq 6 iso 0 dist 8.83135 7.97629 5.71866 14.6513 8.04853 7.00044 numMergedOcc 0
23 mol 85 unq 7 iso 0 dist 8.83135 7.97629 5.71866 9.99421 6.46549 5.85247 numMergedOcc 0
24 mol 91 unq 0 iso 0 dist 6.93893 5.09341 8.77355 12.7678 9.97813 9.60912 numMergedOcc 0
25 mol 93 unq 0 iso 0 dist 7.13064 5.84807 9.19977 9.6722 5.56839 13.1331 numMergedOcc 0
26 mol 93 unq 1 iso 0 dist 7.8962 5.84807 7.28831 9.6722 7.83506 13.1331 numMergedOcc 0
27 mol 128 unq 0 iso 0 dist 7.61237 7.98912 9.59437 8.12622 7.4442 8.54267 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.50264 10.5179 7.83568 11.8519 8.31198 4.80505 numMergedOcc 0
29 mol 146 unq 0 iso 0 dist 8.68292 9.04815 9.23136 5.97454 6.73137 11.2635 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 5.4455 5.39223 4.19371 11.7008 8.43182 9.23342 numMergedOcc 0
31 mol 194 unq 1 iso 0 dist 5.4455 7.15294 9.71015 11.7008 8.43182 11.7699 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 8.27761 13.0806 9.9183 11.775 9.78273 3.43286 numMergedOcc 0
33 mol 244 unq 0 iso 0 dist 9.97458 8.65358 6.53416 4.80974 9.30179 4.99117 numMergedOcc 0
34 mol 244 unq 1 iso 0 dist 9.97458 8.65358 6.53416 13.59 6.10489 7.28456 numMergedOcc 0
35 mol 244 unq 2 iso 0 dist 9.97458 8.65358 6.53416 12.146 4.4204 5.39452 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 8.51736 7.23383 7.95464 6.4179 8.31526 3.04079 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 8.51736 7.23383 7.95464 11.4354 7.08328 6.41309 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 9.54381 9.91008 9.63518 6.09382 9.32971 9.39944 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 8.67838 14.3247 8.6233 9.75548 9.373 11.0273 numMergedOcc 0
