0 mol 68 unq 0 iso 0 dist 9.53862 5.94459 9.59356 7.51631 15.0083 13.0221 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 6.88001 5.94459 8.75627 7.51631 10.2302 13.0221 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 4.86511 9.33262 6.85924 9.87737 10.4666 16.6291 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 4.86511 9.33262 6.85924 6.7303 7.63128 13.2887 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 8.90628 9.93908 6.33846 7.88265 5.03153 6.97032 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 7.61296 9.05365 10.1547 6.36631 5.70681 13.4717 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 7.61296 9.05365 10.1547 6.24308 5.08157 12.1644 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 7.61296 9.05365 10.1547 6.66182 8.98416 3.86677 numMergedOcc 0
8 mol 195 unq 0 iso 0 dist 8.28543 8.22643 11.5875 9.33055 16.1839 11.5264 numMergedOcc 0
9 mol 206 unq 0 iso 0 dist 9.89665 7.47477 15.7294 7.54599 14.3269 7.13626 numMergedOcc 0
10 mol 207 unq 0 iso 0 dist 7.71388 9.72041 8.71816 9.064 10.4268 6.73773 numMergedOcc 0
11 mol 207 unq 1 iso 0 dist 7.71388 5.86317 5.18702 9.064 10.4268 5.62485 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.67898 9.11795 8.07711 6.26596 7.25055 5.92503 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 9.32657 6.06105 15.31 8.81424 15.3903 8.38864 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 9.32657 6.06105 15.31 9.60949 12.2323 11.1621 numMergedOcc 0
15 mol 264 unq 0 iso 0 dist 7.2692 9.91954 5.95173 6.26593 5.80008 8.89888 numMergedOcc 0
16 mol 264 unq 1 iso 0 dist 6.5477 9.91954 15.4032 6.26593 8.24367 8.89888 numMergedOcc 0
17 mol 270 unq 0 iso 0 dist 8.77116 6.87859 8.00706 8.93961 10.8246 11.5539 numMergedOcc 0
18 mol 270 unq 1 iso 0 dist 8.77116 6.87859 8.00706 7.96508 13.2466 6.03752 numMergedOcc 0
19 mol 270 unq 2 iso 0 dist 7.18907 6.87859 5.91024 8.93961 6.71164 11.5539 numMergedOcc 0
20 mol 270 unq 3 iso 0 dist 7.18907 6.87859 5.91024 7.96508 11.0423 6.03752 numMergedOcc 0
