0 mol 5 unq 0 iso 0 dist 9.21484 4.2849 7.77631 6.4543 5.44356 3.14155 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.33568 13.7733 6.29237 7.10314 9.74724 12.9564 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 9.33568 13.7733 6.29237 7.32361 9.13347 10.9428 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 9.33568 17.2226 9.24286 7.10314 9.74724 15.7788 numMergedOcc 0
4 mol 20 unq 3 iso 0 dist 9.33568 17.2226 9.24286 7.32361 9.13347 13.8245 numMergedOcc 0
5 mol 29 unq 0 iso 0 dist 6.27204 5.59714 9.09425 7.24105 8.43763 5.34418 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.23087 9.2457 6.33905 5.37935 8.32093 7.18877 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.5771 6.67286 9.44847 6.56825 9.24005 5.38692 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.60452 6.67286 6.05839 6.56825 7.88846 5.38692 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 8.07119 5.81344 9.02925 5.21959 7.39112 3.43966 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 9.58365 9.70796 9.11555 10.9251 9.82522 10.8387 numMergedOcc 0
11 mol 154 unq 1 iso 0 dist 9.58365 9.70796 9.11555 13.3896 8.50773 6.76318 numMergedOcc 0
12 mol 154 unq 2 iso 0 dist 9.58365 7.34943 8.88053 10.9251 9.82522 6.13421 numMergedOcc 0
13 mol 154 unq 3 iso 0 dist 9.58365 7.34943 8.88053 13.3896 8.50773 7.24062 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 9.42426 5.38317 8.00791 3.67039 7.30461 3.53123 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 8.8252 7.15012 9.44911 17.4703 9.10527 15.073 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 8.78286 16.6847 8.96211 5.30972 9.41473 15.9571 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 8.81279 15.5173 9.24563 16.6733 9.63062 11.5667 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 9.57951 10.6592 9.24563 17.1566 9.63062 11.5667 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 5.7378 12.1132 8.47034 7.27864 9.74797 13.7144 numMergedOcc 0
20 mol 283 unq 1 iso 0 dist 5.7378 12.1132 8.47034 13.4741 9.90494 3.12129 numMergedOcc 0
21 mol 283 unq 2 iso 0 dist 5.7378 10.167 8.57491 7.27864 9.74797 16.5101 numMergedOcc 0
22 mol 283 unq 3 iso 0 dist 5.7378 10.167 8.57491 13.4741 9.90494 13.5298 numMergedOcc 0
23 mol 283 unq 4 iso 0 dist 7.15632 8.90736 8.47034 16.7441 9.74797 13.7144 numMergedOcc 0
24 mol 283 unq 5 iso 0 dist 7.15632 8.90736 8.47034 11.413 9.90494 3.12129 numMergedOcc 0
25 mol 283 unq 6 iso 0 dist 7.15632 5.80649 8.57491 16.7441 9.74797 16.5101 numMergedOcc 0
26 mol 283 unq 7 iso 0 dist 7.15632 5.80649 8.57491 11.413 9.90494 13.5298 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 8.45077 12.7475 5.087 3.97296 7.8605 11.9635 numMergedOcc 0
