0 mol 34 unq 0 iso 0 dist 7.10899 13.0514 6.87871 10.8741 9.24927 8.95909 12.1168 9.99939 15.1968 19.1023 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 5.73067 5.47531 9.23576 5.79134 7.50293 7.35595 3.47751 8.83233 7.10133 7.63536 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 5.73067 5.47531 9.23576 5.48241 9.91611 8.59794 3.47751 8.83233 7.10133 4.04384 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 11.0096 8.80331 10.323 4.15592 9.02471 5.46849 12.6657 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.38387 7.67926 9.74445 11.8286 6.20293 14.445 4.15592 9.02471 5.46849 14.0654 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 4.88613 7.63046 9.56737 5.40367 6.35756 11.5882 6.09663 7.17488 13.6875 4.59417 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 6.78949 9.13822 8.33083 7.54208 8.37808 12.4383 6.80573 4.42563 12.2092 7.90729 numMergedOcc 0
7 mol 122 unq 1 iso 0 dist 9.40018 3.45209 8.33083 11.0216 8.37808 12.4383 12.9961 4.42563 12.2092 7.90729 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 9.28278 4.99299 6.29026 14.5776 8.54584 11.5533 3.54691 7.97548 6.14663 12.5321 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 9.28278 4.99299 6.29026 14.5776 8.54584 11.5533 5.56761 9.64164 5.32811 11.3755 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.81337 6.68239 8.97145 11.4498 6.85062 14.257 3.97269 8.80895 5.51548 11.6692 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 7.81337 7.74794 6.5874 11.4498 6.85062 7.60371 3.97269 8.80895 5.61122 11.6692 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 10.4039 8.56324 9.66339 12.8334 9.00072 17.3816 12.2243 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.07256 8.50267 9.10619 11.1874 6.70283 13.9994 12.8334 9.00072 17.3816 4.73288 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 8.07256 8.50267 9.10619 8.36099 7.16148 14.2552 12.8334 9.00072 17.3816 4.70284 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 6.44212 11.0479 6.37342 7.97883 6.16342 5.29737 3.71488 4.43499 7.72768 4.32238 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 9.29635 15.5244 6.90434 10.8075 9.7748 13.2927 7.31817 4.9764 11.5613 11.8607 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 9.29635 15.5244 6.90434 10.8075 9.7748 13.2927 3.91224 6.36559 13.0566 10.9137 numMergedOcc 0
