0 mol 54 unq 0 iso 0 dist 5.7405 10.0942 6.32568 14.2744 9.17082 8.89627 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 4.94406 6.67779 9.07676 11.3708 7.14031 15.0169 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 7.2337 14.0884 9.07676 7.43547 7.14031 15.0169 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 7.78223 4.87445 5.32751 9.76297 8.42878 11.5261 numMergedOcc 0
4 mol 116 unq 0 iso 0 dist 6.63731 4.83147 9.28045 10.0162 8.38606 9.60499 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 7.35385 8.52311 9.03842 7.20376 6.75376 8.90481 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 5.67112 4.8478 8.84599 5.87168 5.94379 5.96277 numMergedOcc 0
7 mol 184 unq 0 iso 0 dist 5.0207 10.0635 9.02161 8.44389 7.54099 5.9935 numMergedOcc 0
8 mol 184 unq 1 iso 0 dist 5.0207 12.3131 8.38137 8.44389 7.54099 8.11291 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.53805 16.209 7.89312 8.03698 6.21159 9.52106 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 9.99783 13.7008 7.36742 12.9926 9.36796 7.05918 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 6.6069 5.38339 7.93342 5.32064 8.37739 6.88681 numMergedOcc 0
12 mol 225 unq 1 iso 0 dist 6.6069 5.38339 7.93342 6.76978 9.47237 4.55231 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 6.23146 9.44645 6.02641 13.2043 9.8664 6.25229 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 4.68783 9.43294 6.72501 4.30062 5.9627 8.44835 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 9.85331 14.4915 9.60449 4.76167 7.00243 14.63 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 9.02661 14.6393 9.71673 14.7933 6.88827 10.4158 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 9.02661 14.6393 9.71673 7.09841 9.16942 14.9486 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 5.92532 3.87167 9.04531 5.10104 8.20644 6.17749 numMergedOcc 0
