0 mol 4 unq 0 iso 0 dist 8.7041 9.06421 7.77633 14.3783 7.02535 8.68164 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 7.71924 5.3571 7.71617 10.3685 7.24911 5.99655 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.41952 8.12985 8.0318 11.4214 5.67799 9.21761 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 6.6146 6.55381 8.48639 8.63446 3.78122 7.62463 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 5.78962 5.09341 7.77953 8.91998 5.4863 7.71625 numMergedOcc 0
5 mol 139 unq 0 iso 0 dist 9.75151 12.9862 9.07404 19.354 10.9371 8.83962 numMergedOcc 0
6 mol 157 unq 0 iso 0 dist 9.668 5.332 9.35772 8.36016 7.72329 7.91458 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 8.954 8.39434 9.95076 10.5872 4.95423 8.91326 numMergedOcc 0
8 mol 162 unq 1 iso 0 dist 8.954 4.92282 7.76112 10.5872 4.95423 8.33649 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 7.25293 4.47554 5.79617 10.1479 3.74444 8.7434 numMergedOcc 0
10 mol 257 unq 0 iso 0 dist 8.98346 12.6474 5.81865 14.8313 7.56859 7.80473 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 6.23539 5.38166 8.18813 10.4606 11.5613 5.13533 numMergedOcc 0
12 mol 279 unq 0 iso 0 dist 7.2783 6.83947 9.67649 10.1115 12.077 8.62266 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 4.49185 10.6613 9.94851 9.52694 7.24849 4.93516 numMergedOcc 0
14 mol 287 unq 1 iso 0 dist 7.22938 12.7859 9.94851 12.7197 7.24849 4.93516 numMergedOcc 0
15 mol 287 unq 2 iso 0 dist 9.94176 15.0697 9.94851 15.117 7.24849 4.93516 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 4.49185 10.6613 9.94851 9.52694 7.24849 4.93516 numMergedOcc 0
17 mol 288 unq 1 iso 0 dist 7.22938 12.7859 9.94851 12.7197 7.24849 4.93516 numMergedOcc 0
18 mol 288 unq 2 iso 0 dist 9.94176 15.0697 9.94851 15.117 7.24849 4.93516 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 4.49185 10.6613 9.94851 9.52694 7.24849 4.93516 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 7.22938 12.7859 9.94851 12.7197 7.24849 4.93516 numMergedOcc 0
21 mol 289 unq 2 iso 0 dist 9.94176 15.0697 9.94851 15.117 7.24849 4.93516 numMergedOcc 0
