0 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 6.78528 9.72314 13.7912 4.83638 11.087 9.11745 10.9352 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 7.83595 8.204 10.5615 6.78528 9.72314 13.7912 5.2103 10.9758 4.62145 10.8616 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 7.83595 8.204 10.5615 6.78528 9.72314 13.7912 14.1481 16.9608 9.71995 20.9179 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 11.9439 6.99156 10.8175 7.85784 10.1296 5.88827 16.1275 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.27331 7.45777 4.68175 11.9439 6.99156 10.8175 14.3054 11.0617 9.66175 17.7854 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 9.27331 7.45777 4.68175 14.1204 7.21285 7.32265 7.85784 10.1296 5.88827 10.3098 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 9.27331 7.45777 4.68175 14.1204 7.21285 7.32265 14.3054 11.0617 9.66175 6.35914 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 8.50377 7.71596 10.9974 5.50078 10.0184 9.50939 7.24635 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 6.3566 8.6308 7.94379 4.77556 5.28331 7.01987 4.28396 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 7.60912 9.9368 13.4546 7.03515 9.37342 16.9296 13.1056 19.296 8.61788 19.1888 numMergedOcc 0
10 mol 183 unq 0 iso 0 dist 7.69421 8.97652 9.01399 4.92164 9.82833 9.84649 14.3669 17.4248 8.69656 14.1568 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 7.30965 6.2016 5.21255 6.16078 7.72242 5.83093 9.82858 13.0939 7.97601 9.42206 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 9.07072 6.36813 11.2656 10.602 14.3695 7.80646 18.4513 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 6.00654 8.86185 8.20191 10.1043 8.78008 7.80073 6.16212 9.94177 9.58325 7.79949 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 9.59937 7.58554 5.94643 8.46058 8.01565 7.10828 10.9079 11.1939 5.4687 10.0889 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.13333 6.04688 5.70674 8.32339 7.80866 9.04147 5.63037 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 13.1 9.42812 13.9579 14.4215 13.4083 9.07744 21.9563 numMergedOcc 0
