0 mol 7 unq 0 iso 0 dist 9.45309 7.55001 9.49401 15.3646 8.02892 17.3986 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.0478 6.11985 6.54052 10.6593 5.7405 9.45804 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 8.22984 10.3484 6.34031 11.2351 9.95103 14.7574 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 6.6157 8.28108 6.34031 8.46662 9.95103 14.7574 numMergedOcc 0
4 mol 100 unq 2 iso 0 dist 7.37771 6.48142 6.34031 10.5049 9.95103 14.7574 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 8.41086 6.05877 8.19198 6.56678 9.37051 4.65731 numMergedOcc 0
6 mol 120 unq 1 iso 0 dist 7.41599 5.34896 8.19198 8.15855 9.37051 4.65731 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 9.45931 12.9231 6.93424 5.49686 7.35385 13.0903 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 6.49728 6.00072 6.93424 13.8322 7.35385 13.0903 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 6.35397 12.9231 6.8891 5.49686 8.35864 13.0903 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 7.93807 6.25478 9.83216 10.8805 9.69399 6.20034 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 5.11863 11.4233 9.13228 3.95306 5.0207 13.0222 numMergedOcc 0
12 mol 184 unq 1 iso 0 dist 5.92785 4.96558 9.13228 9.14602 5.0207 13.0222 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 7.35424 8.2534 9.9312 8.0557 9.99783 13.5387 numMergedOcc 0
14 mol 196 unq 0 iso 0 dist 6.67699 6.29554 9.42877 10.6599 9.47404 6.47651 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 6.74767 4.02994 7.62513 7.83238 9.9144 9.01559 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 9.20651 9.30697 8.22952 18.1288 9.61639 12.1098 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 9.68308 9.85936 6.7282 13.3058 4.68783 7.89655 numMergedOcc 0
18 mol 256 unq 0 iso 0 dist 8.95444 12.099 5.2801 9.56036 7.40057 12.6693 numMergedOcc 0
19 mol 256 unq 1 iso 0 dist 7.53508 5.54125 5.2801 13.694 7.40057 12.6693 numMergedOcc 0
