0 mol 11 unq 0 iso 0 dist 7.05626 10.0711 9.09091 10.0977 7.98326 8.17605 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.05626 10.0711 9.09091 6.5069 7.90478 12.9594 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 9.1301 9.56849 6.96422 4.38034 5.76024 5.4274 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 9.1301 9.56849 6.96422 6.06519 7.92714 8.06296 numMergedOcc 0
4 mol 12 unq 2 iso 0 dist 9.1301 9.56849 6.96422 9.69467 8.47217 6.65972 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 5.94245 5.85257 6.50647 9.867 6.03257 6.19131 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.01238 4.25444 5.497 13.0316 6.56527 11.553 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 6.54052 6.2425 6.30987 11.754 9.17082 6.85072 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.2958 6.55474 7.03226 14.0749 8.95905 9.24521 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.41084 4.58314 4.25566 11.939 9.83945 7.64948 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.41084 4.71444 6.63171 11.939 9.83945 14.2837 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 6.41084 7.21438 7.67273 11.939 9.83945 10.6379 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 6.93424 13.2439 7.31037 12.0582 6.75376 7.64948 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.83185 12.188 7.05653 13.1684 9.92471 9.67649 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.0234 4.56814 7.05653 12.116 9.92471 9.67649 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 8.60978 9.28896 6.62002 12.1252 5.92374 4.38002 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 8.60978 4.40826 9.69818 12.1252 5.92374 14.6816 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 8.60978 6.04481 6.73446 12.1252 5.92374 11.5793 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 9.33975 10.153 5.80452 13.1036 6.73712 4.12456 numMergedOcc 0
19 mol 280 unq 1 iso 0 dist 9.33975 10.153 5.80452 9.27897 9.35704 10.4684 numMergedOcc 0
20 mol 280 unq 2 iso 0 dist 9.33975 4.3714 7.82157 13.1036 6.73712 9.56032 numMergedOcc 0
21 mol 280 unq 3 iso 0 dist 9.33975 4.3714 7.82157 9.27897 9.35704 6.37191 numMergedOcc 0
22 mol 280 unq 4 iso 0 dist 7.18775 10.2197 5.80452 10.9171 6.73712 4.12456 numMergedOcc 0
23 mol 280 unq 5 iso 0 dist 7.18775 10.2197 5.80452 4.26671 9.35704 10.4684 numMergedOcc 0
24 mol 280 unq 6 iso 0 dist 7.18775 5.90982 7.82157 10.9171 6.73712 9.56032 numMergedOcc 0
25 mol 280 unq 7 iso 0 dist 7.18775 5.90982 7.82157 4.26671 9.35704 6.37191 numMergedOcc 0
