0 mol 26 unq 0 iso 0 dist 6.32127 9.47439 8.01238 5.34406 9.11311 11.3323 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.0478 6.11985 6.54052 8.69776 5.27979 11.8083 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 5.58337 5.14497 8.04111 7.96117 9.06469 4.2957 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.25276 6.77871 8.23534 4.5706 9.32778 9.68559 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.51367 7.46876 6.45174 8.98705 5.54226 8.58563 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 9.51367 9.75897 8.70427 8.98705 5.54226 3.68143 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 9.89206 5.93896 7.36361 8.00307 9.42762 5.85997 numMergedOcc 0
7 mol 123 unq 1 iso 0 dist 9.89206 5.93896 7.36361 8.96416 7.30244 3.61945 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 5.80081 11.9052 6.41084 5.22187 4.92382 10.2696 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 9.45931 12.9231 6.93424 8.07317 8.40695 14.9967 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 9.45931 12.9231 6.93424 5.69432 9.35867 14.2035 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 6.49728 6.00072 6.93424 14.253 8.40695 14.9967 numMergedOcc 0
12 mol 141 unq 4 iso 0 dist 6.49728 6.00072 6.93424 14.7502 9.35867 14.2035 numMergedOcc 0
13 mol 141 unq 5 iso 0 dist 6.35397 12.9231 6.8891 5.69432 9.38036 14.2035 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.89293 9.60714 7.77211 5.12831 8.2241 8.73397 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 6.67699 6.29554 9.42877 10.7769 6.14222 9.69543 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 9.68308 9.85936 6.7282 11.6107 8.76518 3.89698 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 9.58671 9.00229 8.91606 5.85558 8.1769 3.64811 numMergedOcc 0
18 mol 278 unq 1 iso 0 dist 9.58671 9.00229 8.91606 4.62289 7.1656 6.31745 numMergedOcc 0
19 mol 278 unq 2 iso 0 dist 8.60481 4.39811 8.91606 6.59605 8.1769 3.64811 numMergedOcc 0
20 mol 278 unq 3 iso 0 dist 8.60481 4.39811 8.91606 5.55931 7.1656 6.31745 numMergedOcc 0
