0 mol 9 unq 0 iso 0 dist 9.27637 6.11048 6.00657 9.75403 4.74921 9.39176 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.93188 8.23075 4.21283 13.5399 9.65174 8.25818 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.93188 4.7841 4.97191 13.5399 9.65174 10.2171 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.44506 7.98005 12.4814 6.33493 9.41425 10.2035 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.44506 8.31381 15.4838 6.33493 9.41425 13.0668 numMergedOcc 0
5 mol 28 unq 0 iso 0 dist 7.28416 8.95154 6.37119 4.55829 8.75468 8.67077 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 7.28416 8.95154 6.37119 5.13816 7.62989 10.4857 numMergedOcc 0
7 mol 28 unq 2 iso 0 dist 7.28416 8.95154 6.37119 7.07342 5.70238 11.286 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.00777 9.01812 4.06365 5.76272 5.72961 4.18248 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 6.49956 8.85601 12.8901 5.94724 7.7346 13.6685 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 8.41611 8.99891 7.87644 6.75249 7.22 4.3855 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 4.19634 7.19893 5.19116 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 5.49226 8.39897 7.88487 4.45407 6.37938 8.45156 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.77552 7.55934 6.69469 10.6994 7.34557 12.5349 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 8.35555 6.79114 4.78989 9.75376 9.48674 12.5349 numMergedOcc 0
15 mol 152 unq 2 iso 0 dist 8.35555 7.59457 9.43672 9.75376 9.48674 15.5471 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 6.20182 7.93088 5.21512 4.51281 9.56342 10.7246 numMergedOcc 0
17 mol 163 unq 0 iso 0 dist 8.38738 9.90947 15.2764 4.2768 9.40912 13.9273 numMergedOcc 0
18 mol 163 unq 1 iso 0 dist 8.38738 8.16252 12.99 4.2768 9.40912 12.1476 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 7.35824 9.19156 14.7729 10.7092 6.90373 17.9632 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 8.10985 6.77156 13.3432 4.27652 5.20846 10.6266 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 8.10985 7.97894 12.4245 4.27652 5.20846 10.0094 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 8.10985 8.08471 5.45278 4.27652 5.20846 7.38825 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 5.60393 7.13783 12.0319 4.30308 5.19567 9.29842 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 5.76954 7.84952 11.2216 13.1733 8.98941 18.5411 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 5.76954 7.84952 11.2216 8.38909 6.45381 12.21 numMergedOcc 0
26 mol 218 unq 2 iso 0 dist 6.29511 7.84952 5.46009 10.3884 6.62738 10.8886 numMergedOcc 0
27 mol 218 unq 3 iso 0 dist 6.29511 7.84952 5.46009 11.2389 7.13254 12.4557 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.15467 7.12221 8.34189 5.82277 9.12447 12.3103 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 8.15467 5.4557 10.6472 5.82277 9.12447 9.53717 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 7.44083 8.12739 12.596 6.91483 9.76998 14.8343 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 7.44083 6.09853 8.42538 6.91483 9.76998 11.9455 numMergedOcc 0
