0 mol 44 unq 0 iso 0 dist 8.27424 4.52881 8.70604 4.61354 11.6594 7.85573 9.5746 15.936 7.42925 9.64095 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 8.27424 4.52881 8.70604 6.03595 13.8406 6.21423 9.5746 15.936 7.42925 4.83412 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 6.4519 4.52881 5.23045 4.61354 10.2296 7.85573 9.5746 12.4909 7.42925 9.64095 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 6.4519 4.52881 5.23045 6.03595 11.0179 6.21423 9.5746 12.4909 7.42925 4.83412 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 9.56049 6.21251 9.89759 6.40918 14.8049 6.98121 7.7133 13.9609 9.50228 5.93743 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 6.68154 5.37527 4.93796 5.97457 10.6165 7.24906 6.64741 12.2912 9.67681 8.8602 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.60361 6.13194 5.29056 6.21393 11.2492 6.71671 9.41836 13.2497 9.5002 4.1431 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.74464 6.30762 12.8661 9.30741 17.6325 8.89412 6.92937 12.4849 9.39811 7.25148 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.75007 4.84604 8.58899 9.45934 12.6339 6.85651 6.13661 12.6518 8.70392 14.4497 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.75007 4.84604 8.58899 5.10912 12.8104 7.03858 6.13661 12.6518 8.70392 9.26708 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 7.6395 8.42082 10.2818 5.92269 10.9593 5.55129 6.35087 12.9255 7.32163 5.03347 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 7.67343 8.47493 10.2642 5.95123 11.0233 5.53778 6.38252 13.0058 7.42372 4.80033 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.8495 9.10711 6.72047 13.3146 12.1018 8.56656 5.86273 10.6756 9.28818 9.07051 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.00688 9.10711 8.92874 13.3146 16.1011 8.56656 5.86273 12.4034 9.28818 9.07051 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 8.50624 9.09556 13.152 4.86861 12.5877 6.98812 9.59458 11.0563 7.49913 10.7881 numMergedOcc 0
