0 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 10.5084 8.75469 14.0204 8.03754 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 6.15118 9.04228 5.23042 9.70697 9.70148 14.7263 10.4637 5.55161 8.56256 8.94235 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.84699 6.10011 8.04817 13.4367 6.89722 11.4799 13.2901 7.92924 14.5809 7.23812 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 13.2901 7.92924 9.59988 7.23812 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.40844 6.10011 9.76331 13.4367 7.26679 11.4799 13.2901 5.4653 14.5809 7.23812 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 13.2901 5.4653 9.59988 7.23812 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 6.99156 6.10011 10.4402 16.0086 9.02288 18.5645 13.2901 7.09483 14.5809 5.36012 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 6.99156 6.10011 10.4402 16.0086 9.02288 18.5645 10.8175 4.68175 13.8454 6.3777 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 6.99156 8.124 8.0624 16.0086 9.02288 14.305 13.2901 7.09483 9.59988 5.36012 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 6.99156 8.124 8.0624 16.0086 9.02288 14.305 10.8175 4.68175 10.019 6.3777 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 6.7939 5.4653 7.80518 7.23812 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 8.84852 9.60838 5.43283 9.50073 9.10619 13.7502 9.27341 7.53439 9.48798 8.41774 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 5.01062 8.7347 6.00706 11.7342 13.6797 8.47937 6.77368 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 7.10689 8.7419 8.81265 5.01062 8.7347 6.00706 7.99609 9.50337 4.81992 7.73634 numMergedOcc 0
14 mol 222 unq 2 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 11.7342 13.6797 10.4837 6.77368 numMergedOcc 0
15 mol 222 unq 3 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 7.99609 9.50337 9.69122 7.73634 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 4.99301 9.74059 10.9595 5.25583 6.56437 14.9391 11.2656 11.5364 19.8744 7.49783 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 6.36813 9.74059 13.311 5.25583 6.23882 14.9391 11.2656 6.88745 19.8744 7.49783 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 12.1661 9.9943 12.8561 7.49783 numMergedOcc 0
19 mol 224 unq 3 iso 0 dist 7.7163 9.11052 10.3532 11.8217 9.34636 14.0676 12.1661 9.9943 18.1824 7.49783 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 5.13233 8.58088 6.42289 8.73425 5.27718 5.90131 9.04358 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 5.59151 5.82876 7.96313 13.8866 9.02749 12.8531 11.7974 10.3702 7.24261 8.88221 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 5.59151 5.82876 7.96313 13.8866 9.02749 12.8531 18.3035 14.5909 15.3502 9.65027 numMergedOcc 0
23 mol 274 unq 2 iso 0 dist 5.59151 8.71129 13.1879 13.8866 9.02749 18.9617 11.7974 10.3702 12.398 8.88221 numMergedOcc 0
24 mol 274 unq 3 iso 0 dist 5.59151 8.71129 13.1879 13.8866 9.02749 18.9617 18.3035 14.5909 20.7922 9.65027 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 9.42812 7.07459 13.8339 16.2915 6.90434 20.2357 13.9579 5.95045 18.7332 4.81916 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 9.9227 8.80588 4.95798 5.80223 8.85762 6.0664 6.38295 11.4101 8.26589 7.96485 numMergedOcc 0
