0 mol 15 unq 0 iso 0 dist 9.41935 6.25997 6.03257 10.5167 6.23015 5.20798 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 6.70097 10.3521 5.86181 12.8405 9.07213 10.2902 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 6.70097 8.19819 6.3253 12.8405 9.07213 5.22924 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 6.70097 6.11738 5.80568 12.8405 9.07213 9.92781 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 6.61889 5.1525 8.60289 7.86022 5.63735 6.29572 numMergedOcc 0
5 mol 21 unq 1 iso 0 dist 6.61889 5.1525 8.60289 4.32991 6.28263 5.55622 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.23824 6.39466 6.72323 5.97274 6.61696 4.08755 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.23824 6.39466 6.72323 6.46192 5.80953 10.0453 numMergedOcc 0
8 mol 46 unq 0 iso 0 dist 8.84113 8.9569 8.0543 4.78497 5.96231 10.324 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 6.71313 13.3903 8.29857 9.34127 6.03404 9.02536 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 6.54699 13.2873 8.19993 9.7211 6.07052 9.12073 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.35279 18.1901 9.66222 9.75167 5.05893 11.0952 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 9.35279 18.1901 9.66222 10.8439 5.71866 12.5181 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 6.84692 4.71426 9.5057 8.59989 6.59691 12.48 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.49688 14.6184 8.95662 13.2024 8.83732 6.24625 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 7.03303 7.23254 5.25109 8.11114 7.47964 11.4851 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 7.03303 8.97143 8.21618 8.11114 7.47964 12.9811 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.91675 10.0785 7.32087 6.12433 9.06571 5.3698 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.91675 10.0785 7.32087 4.46602 7.35884 6.39406 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 6.2176 8.51662 7.22883 7.11838 8.12266 14.2282 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 6.2176 8.51662 7.22883 5.42919 9.43306 10.273 numMergedOcc 0
21 mol 181 unq 4 iso 0 dist 6.2176 8.51662 7.22883 6.20414 8.59681 5.14966 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 5.67863 9.82808 6.38324 14.0502 9.00322 7.41775 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 9.42308 9.82808 6.1886 11.795 4.19371 4.002 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 9.42308 9.82808 6.1886 15.9063 9.71015 7.09553 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 5.3481 11.5344 6.94789 4.81611 7.39085 14.2323 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 6.83684 5.91142 7.16346 6.91408 7.85836 8.43367 numMergedOcc 0
27 mol 273 unq 1 iso 0 dist 6.83684 5.91142 7.16346 4.04219 6.35532 3.78984 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 7.1364 4.45928 7.75216 13.3529 7.77765 13.9324 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 7.1364 4.45928 7.75216 13.7073 9.65868 10.7442 numMergedOcc 0
30 mol 274 unq 2 iso 0 dist 5.0002 4.67674 6.88827 12.616 8.60027 13.3632 numMergedOcc 0
31 mol 274 unq 3 iso 0 dist 5.0002 11.1431 9.16942 12.616 8.60027 5.39432 numMergedOcc 0
