0 mol 9 unq 0 iso 0 dist 9.4523 14.045 7.032 10.2649 5.06358 7.9944 16.2362 7.51034 5.38458 10.4817 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.84393 4.93362 6.36455 11.4946 10.6598 7.48847 8.75332 6.49317 7.69625 8.19436 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.84393 4.93362 6.36455 10.1953 5.03957 6.92532 8.75332 6.49317 7.69625 10.3648 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.35095 6.80952 4.93188 12.4687 12.3067 9.24958 15.1607 9.48345 9.40479 13.1456 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.35095 6.80952 4.93188 12.4687 12.3067 9.24958 14.9449 14.4162 9.58012 10.0655 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 5.87895 9.6739 9.24958 11.0381 12.3067 4.93188 15.5823 13.1456 9.40479 9.48345 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 5.87895 9.6739 9.24958 11.0381 12.3067 4.93188 14.1746 10.0655 9.58012 14.4162 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.20865 5.09562 5.74854 9.49799 7.72877 5.88354 9.46082 13.1711 7.63183 10.7735 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.20865 5.09562 5.74854 12.129 11.0242 7.89665 9.46082 13.1711 7.63183 9.38161 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 8.20865 5.09562 5.74854 10.0009 5.09649 5.39354 9.46082 13.1711 7.63183 10.5878 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 8.20865 5.09562 5.74854 13.1775 11.9511 8.76566 9.46082 13.1711 7.63183 7.42291 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 8.20865 5.09562 5.74854 11.3099 11.569 8.8368 9.46082 13.1711 7.63183 8.01486 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 7.4371 5.02505 8.67766 10.4795 6.48636 8.0831 7.73993 11.8348 9.92553 15.0307 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.45401 8.19136 7.20574 11.5381 5.74635 6.85302 15.5044 12.7155 7.55358 9.97575 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 7.45401 8.19136 7.20574 11.5381 5.74635 6.85302 16.1468 11.2142 8.87818 7.92653 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 6.86297 8.88762 6.85302 10.7452 5.74635 7.20574 12.4751 9.97575 7.55358 12.7155 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 6.86297 8.88762 6.85302 10.7452 5.74635 7.20574 12.3876 7.92653 8.87818 11.2142 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 7.93727 3.94313 7.75722 10.1494 12.1984 6.39158 13.1632 12.6437 9.81305 5.72331 numMergedOcc 0
18 mol 235 unq 1 iso 0 dist 7.93727 3.94313 7.75722 10.1494 12.1984 6.39158 9.08444 5.70265 6.89118 8.33772 numMergedOcc 0
19 mol 240 unq 0 iso 0 dist 6.01168 14.3522 9.47583 7.72928 4.28414 8.44909 16.0121 10.6074 9.53915 9.23135 numMergedOcc 0
20 mol 240 unq 1 iso 0 dist 7.72928 14.3522 8.44909 6.01168 4.28414 9.47583 16.0121 9.23135 9.53915 10.6074 numMergedOcc 0
21 mol 240 unq 2 iso 0 dist 6.83069 8.30926 9.47583 9.30995 4.28414 8.44909 9.30056 10.6074 9.53915 9.23135 numMergedOcc 0
22 mol 240 unq 3 iso 0 dist 9.30995 8.30926 8.44909 6.83069 4.28414 9.47583 9.30056 9.23135 9.53915 10.6074 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 7.9357 11.517 7.99477 13.7159 7.26417 6.70815 12.04 5.27959 6.47194 6.6525 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 8.81059 15.4617 7.99477 14.0712 7.26417 6.70815 14.0614 5.27959 6.47194 6.6525 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 6.80096 5.04055 6.42588 10.9135 8.96144 7.52281 10.2338 10.1591 5.74568 4.48907 numMergedOcc 0
