0 mol 7 unq 0 iso 0 dist 8.41173 7.38748 10.1841 12.9957 9.58865 15.1192 7.15287 13.8674 6.8464 15.8143 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41173 7.38748 10.1841 12.9957 9.58865 15.1192 7.8893 15.8454 9.15183 19.5665 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 8.98466 6.6051 10.763 8.5421 7.96154 13.3275 6.98179 12.4753 9.75368 8.37383 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 11.9439 6.99156 10.8175 12.3394 9.02288 6.3777 16.0086 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.27331 7.45777 4.68175 14.1204 7.21285 7.32265 12.3394 9.02288 6.3777 4.91508 numMergedOcc 0
5 mol 220 unq 0 iso 0 dist 7.86207 8.57174 14.3078 11.9931 8.58709 18.4836 9.18635 15.7208 9.9693 15.2806 numMergedOcc 0
6 mol 220 unq 1 iso 0 dist 7.57712 5.25149 10.1832 6.40358 4.3362 10.8891 6.19375 7.31105 5.39218 9.20027 numMergedOcc 0
7 mol 220 unq 2 iso 0 dist 7.20255 5.25149 9.96224 6.40358 5.51565 10.8891 6.19375 10.2676 5.39218 9.20027 numMergedOcc 0
8 mol 220 unq 3 iso 0 dist 7.20255 5.25149 9.96224 7.36665 9.74776 12.5698 6.19375 10.2676 5.39218 12.2122 numMergedOcc 0
9 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 9.07072 6.36813 11.2656 6.87755 6.23882 7.49783 5.25583 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 10.1043 8.78008 18.9779 8.70119 14.0261 6.29774 18.1587 numMergedOcc 0
11 mol 239 unq 1 iso 0 dist 6.00654 9.01071 12.178 10.1043 8.78008 18.9779 10.1972 15.6305 9.28258 18.7738 numMergedOcc 0
12 mol 239 unq 2 iso 0 dist 9.59937 7.58554 5.94643 8.46058 8.01565 7.10828 8.27566 12.985 7.78671 12.7533 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 11.1086 9.26487 18.7825 9.78068 15.2652 9.04358 19.8503 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 7.70189 8.10903 5.27718 5.79358 6.59521 8.73425 9.78068 8.58088 9.04358 5.13233 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 5.72823 9.56414 11.9931 6.5875 10.2386 7.30472 5.79827 numMergedOcc 0
16 mol 261 unq 1 iso 0 dist 6.41477 8.88741 10.1876 9.836 9.64886 18.0969 6.5875 10.2386 7.30472 14.7193 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 5.64335 7.59956 14.7727 7.23876 9.02749 8.88221 11.3084 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 6.12202 9.34051 10.3702 13.0534 8.05503 17.417 7.23876 9.02749 8.88221 16.897 numMergedOcc 0
19 mol 274 unq 2 iso 0 dist 6.12202 9.34051 10.3702 9.24343 5.59151 11.7974 7.23876 9.02749 8.88221 13.8866 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 13.1 9.42812 13.9579 7.44724 6.90434 4.81916 16.2915 numMergedOcc 0
