0 mol 0 unq 0 iso 0 dist 9.99338 9.72725 7.05033 9.15528 9.14271 12.8524 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 6.28925 9.87885 5.35168 5.03847 6.04832 11.2901 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.70159 6.1206 5.35168 13.8829 6.04832 11.2901 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.70159 7.67927 10.1219 13.8829 6.04832 16.0449 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 9.35137 5.93898 4.32991 10.6971 6.61889 6.28263 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 5.61656 6.07517 8.74649 6.10646 8.28062 11.7486 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 5.61656 6.07517 8.74649 7.0381 6.90201 11.0944 numMergedOcc 0
7 mol 30 unq 2 iso 0 dist 7.22242 6.07517 10.9847 6.10646 6.31246 11.7486 numMergedOcc 0
8 mol 30 unq 3 iso 0 dist 6.95343 6.74179 8.74649 10.7121 8.28062 11.7486 numMergedOcc 0
9 mol 30 unq 4 iso 0 dist 6.95343 6.74179 8.74649 4.94076 6.90201 11.0944 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 4.5985 9.90751 10.3433 6.12107 8.95014 7.81446 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 4.5985 9.90751 10.3433 5.42531 6.84692 10.3057 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 4.5985 9.90751 10.3433 4.86592 5.74152 13.9158 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 4.5985 9.21662 8.59989 6.12107 8.95014 6.55173 numMergedOcc 0
14 mol 100 unq 4 iso 0 dist 4.5985 9.21662 8.59989 5.42531 6.84692 6.59691 numMergedOcc 0
15 mol 100 unq 5 iso 0 dist 4.5985 9.21662 8.59989 4.86592 5.74152 11.1692 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 4.51266 8.77023 13.2024 4.54648 6.49688 8.83732 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 6.50009 9.10524 4.20094 6.98221 7.20601 7.83568 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 6.50009 9.10524 4.20094 8.11308 8.72806 11.5865 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 6.50009 6.42772 5.40695 6.98221 7.20601 11.0688 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 6.50009 6.42772 5.40695 8.11308 8.72806 12.306 numMergedOcc 0
21 mol 170 unq 0 iso 0 dist 6.36868 9.08274 5.40635 9.275 8.20406 6.47164 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.47008 6.64173 7.11838 5.63555 6.2176 8.12266 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 8.47008 9.01624 8.25265 5.63555 6.2176 10.5303 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 8.47008 9.55105 5.42919 5.63555 6.2176 9.43306 numMergedOcc 0
25 mol 198 unq 0 iso 0 dist 5.82585 9.31526 5.02597 9.73871 6.50352 8.63279 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 9.31373 8.1945 5.95485 8.32583 7.83637 10.7064 numMergedOcc 0
27 mol 225 unq 1 iso 0 dist 9.88976 6.50998 5.95485 16.6675 7.83637 10.7064 numMergedOcc 0
28 mol 225 unq 2 iso 0 dist 9.88976 9.09424 13.0993 16.6675 7.83637 16.9047 numMergedOcc 0
29 mol 225 unq 3 iso 0 dist 9.88976 8.14831 17.2402 16.6675 7.83637 24.0926 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 6.35438 7.81215 4.76962 10.0059 9.38888 7.77911 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 9.57132 5.64285 4.76962 5.08515 9.38888 7.77911 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 5.45139 6.73665 7.77371 11.169 6.85567 8.95511 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 9.82018 9.59325 4.04219 4.60101 6.83684 6.35532 numMergedOcc 0
