0 mol 7 unq 0 iso 0 dist 8.14952 9.02869 8.4061 15.4291 8.77648 9.28571 14.326 16.2804 8.05125 15.7038 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 11.9439 6.99156 10.8175 10.345 10.4593 6.85356 14.5875 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.27331 7.45777 4.68175 11.9439 6.99156 10.8175 14.1204 7.21285 7.32265 13.6926 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.27331 7.45777 4.68175 14.1204 7.21285 7.32265 10.345 10.4593 6.85356 12.3241 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 8.50377 7.71596 10.9974 10.2556 13.6767 9.26231 18.5212 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 6.81741 8.68674 4.74328 8.61334 8.23566 4.82346 12.2155 11.1962 8.07233 4.8794 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 7.85526 9.88178 6.01484 5.57607 7.94564 6.00896 15.6097 14.1149 8.15734 10.0801 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 5.33543 9.88178 10.6104 5.57607 9.21999 6.00896 15.6097 18.1155 8.15734 10.0801 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 7.57712 5.25149 10.1832 6.40358 4.3362 10.8891 8.17619 15.6379 9.57625 13.349 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 7.57712 8.6368 13.4455 6.40358 4.3362 11.0474 7.36665 10.181 9.984 6.08531 numMergedOcc 0
10 mol 220 unq 2 iso 0 dist 7.57712 8.6368 13.4455 6.40358 4.3362 11.0474 8.17619 15.6379 8.08702 13.349 numMergedOcc 0
11 mol 220 unq 3 iso 0 dist 7.20255 5.25149 9.96224 6.40358 5.51565 10.8891 8.17619 13.5453 9.57625 13.349 numMergedOcc 0
12 mol 220 unq 4 iso 0 dist 7.20255 5.25149 9.96224 7.36665 9.74776 12.5698 8.17619 13.5453 9.57625 10.3111 numMergedOcc 0
13 mol 220 unq 5 iso 0 dist 7.20255 8.6368 8.70221 6.40358 5.51565 11.0474 7.36665 9.74776 9.984 6.08531 numMergedOcc 0
14 mol 220 unq 6 iso 0 dist 7.20255 8.6368 8.70221 6.40358 5.51565 11.0474 8.17619 13.5453 8.08702 13.349 numMergedOcc 0
15 mol 220 unq 7 iso 0 dist 7.20255 8.6368 8.70221 7.36665 9.74776 9.984 8.17619 13.5453 8.08702 10.3111 numMergedOcc 0
16 mol 223 unq 0 iso 0 dist 9.29204 8.87456 8.36102 4.68566 9.86372 7.76053 11.1044 15.8519 9.65728 7.55127 numMergedOcc 0
17 mol 223 unq 1 iso 0 dist 9.14789 8.87456 5.43913 4.68566 7.70946 7.76053 11.1044 12.2562 9.65728 7.55127 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 9.07072 6.36813 11.2656 8.8161 14.6984 8.96263 16.3885 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 10.1043 8.78008 18.9779 13.3781 18.3166 7.449 23.1877 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 6.00654 9.01071 12.178 10.1043 8.78008 18.9779 14.2324 18.9073 8.98789 23.7232 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 11.1086 9.26487 18.7825 5.79358 10.9114 8.73425 15.0987 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 11.1086 9.26487 17.1978 5.79358 10.9114 9.65711 15.0987 numMergedOcc 0
