0 mol 15 unq 0 iso 0 dist 7.876 9.64147 7.38744 10.4974 4.2996 8.60614 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 7.876 4.29582 9.41935 9.84471 10.5167 6.23015 numMergedOcc 0
2 mol 15 unq 2 iso 0 dist 8.63502 10.7474 7.38744 12.5977 4.2996 8.60614 numMergedOcc 0
3 mol 15 unq 3 iso 0 dist 8.63502 8.72342 9.41935 13.5608 10.5167 6.23015 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 9.35137 10.6971 6.61889 9.84542 7.86022 5.63735 numMergedOcc 0
5 mol 21 unq 1 iso 0 dist 9.35137 10.6971 6.61889 5.93898 4.32991 6.28263 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 4.5985 6.12107 8.95014 9.90751 10.3433 7.81446 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 4.5985 6.12107 8.95014 9.21662 8.59989 6.55173 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 4.5985 5.42531 6.84692 9.21662 8.59989 6.59691 numMergedOcc 0
9 mol 100 unq 3 iso 0 dist 8.20656 12.5531 8.95014 15.6594 10.3433 7.81446 numMergedOcc 0
10 mol 100 unq 4 iso 0 dist 8.20656 12.5531 8.95014 10.5432 8.59989 6.55173 numMergedOcc 0
11 mol 100 unq 5 iso 0 dist 8.20656 8.4128 6.84692 10.5432 8.59989 6.59691 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.64695 12.538 6.49688 12.5855 13.2024 8.83732 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 4.51266 4.54648 6.49688 8.77023 13.2024 8.83732 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 6.50009 6.98221 7.20601 9.10524 4.20094 7.83568 numMergedOcc 0
15 mol 135 unq 0 iso 0 dist 6.67623 10.2752 7.83735 16.0581 11.796 7.17599 numMergedOcc 0
16 mol 170 unq 0 iso 0 dist 6.36868 9.275 8.20406 9.08274 5.40635 6.47164 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.47008 5.63555 6.2176 6.64173 7.11838 8.12266 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.47008 5.63555 6.2176 9.55105 5.42919 9.43306 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 8.47008 5.63555 6.2176 11.7785 6.20414 8.59681 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.61316 6.61274 7.12765 15.6299 14.9476 9.32959 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 7.61316 10.286 5.67863 16.9319 14.0502 9.00322 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 7.61316 15.0555 9.42308 17.457 11.795 4.19371 numMergedOcc 0
23 mol 194 unq 3 iso 0 dist 7.61316 15.0555 9.42308 22.5099 15.9063 9.71015 numMergedOcc 0
24 mol 198 unq 0 iso 0 dist 5.82585 9.73871 6.50352 9.31526 5.02597 8.63279 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 7.72403 13.8349 9.38888 11.6391 4.76962 7.77911 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 6.35438 10.0059 9.38888 7.81215 4.76962 7.77911 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 9.57132 5.08515 9.38888 5.64285 4.76962 7.77911 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 5.45139 11.169 6.85567 6.73665 7.77371 8.95511 numMergedOcc 0
29 mol 239 unq 1 iso 0 dist 8.10769 6.34419 6.85567 13.4991 7.77371 8.95511 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 9.82018 4.60101 6.83684 12.205 6.91408 7.85836 numMergedOcc 0
31 mol 273 unq 1 iso 0 dist 9.82018 4.60101 6.83684 9.59325 4.04219 6.35532 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 6.92434 5.29529 5.0002 12.8334 12.616 8.60027 numMergedOcc 0
