0 mol 55 unq 0 iso 0 dist 9.89804 17.7567 9.95327 9.83082 9.93096 13.3028 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 9.89804 5.50549 7.50825 9.83082 9.93096 5.78969 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.66506 8.49428 6.91141 12.6525 8.87464 5.23492 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.18097 14.4152 5.79841 5.25569 9.66222 15.4219 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 8.83135 6.87788 5.79841 16.1324 9.66222 15.4219 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 5.74593 7.22864 8.66742 8.27358 5.50508 5.97684 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.13064 5.40647 5.76109 8.41572 8.74378 5.15472 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 7.8962 5.40647 8.0955 8.41572 8.89417 5.15472 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 7.8962 5.40647 8.0955 5.74733 9.95255 9.30737 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.98039 5.46236 4.96613 9.83193 7.14031 5.24592 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 6.56978 7.66248 9.1593 12.6896 9.5057 12.6358 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.56978 7.66248 9.1593 9.19586 5.75014 7.74959 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 4.86767 3.97585 7.78223 6.72133 8.42878 9.76297 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 8.03113 4.44169 6.63731 13.3662 8.38606 10.0162 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 9.2638 13.3535 6.63731 10.4136 8.38606 10.0162 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 9.85979 13.8016 9.2657 6.22139 6.33431 12.5885 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.03403 6.36904 5.67112 5.80215 5.94379 5.87168 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 9.33514 17.4612 9.32649 15.6069 9.73541 7.31769 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 9.25162 6.32212 6.23146 15.3266 9.8664 13.2043 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 6.77259 8.9894 9.85331 9.63118 7.00243 4.76167 numMergedOcc 0
