0 mol 53 unq 0 iso 0 dist 7.61675 6.53895 9.99188 12.1831 7.09169 10.2062 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 9.64645 5.29664 9.99188 7.56636 7.09169 10.2062 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.58057 16.8973 9.10096 9.16445 6.77886 11.5552 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.57633 13.8235 8.98939 6.58144 7.27383 8.89982 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 8.04921 6.23389 8.54955 14.6942 9.96399 12.613 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 8.04921 6.23389 8.54955 8.71681 7.55695 9.35097 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 8.04921 6.23389 8.54955 6.05904 8.82176 9.8648 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.56041 12.2608 5.48788 12.1948 5.88354 6.69791 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.56041 12.2608 5.48788 13.2435 7.89665 6.7822 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 7.56041 12.2608 5.48788 5.62353 5.39354 9.86407 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 7.56041 12.2608 5.48788 7.42934 5.74854 10.9221 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 7.56041 12.2608 5.48788 8.99607 8.76566 9.71558 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 7.56041 12.2608 5.48788 5.36136 8.8368 11.3525 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.96048 5.80382 9.70095 8.71142 7.12017 5.06206 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 5.82495 7.06664 9.13886 5.43987 7.23962 5.40087 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 5.82495 7.06664 9.13886 11.3454 9.00067 9.53485 numMergedOcc 0
16 mol 112 unq 2 iso 0 dist 5.82495 7.06664 9.13886 14.3588 9.89499 13.9695 numMergedOcc 0
17 mol 112 unq 3 iso 0 dist 5.82495 7.06664 9.13886 9.7695 7.30204 11.6264 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 6.78772 6.32248 8.92412 7.862 6.69515 4.37081 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 6.78772 6.32248 8.92412 5.64577 7.86572 6.23566 numMergedOcc 0
20 mol 141 unq 2 iso 0 dist 6.78772 13.3479 6.97579 7.862 6.69515 10.5394 numMergedOcc 0
21 mol 141 unq 3 iso 0 dist 6.78772 13.3479 6.97579 5.64577 7.86572 12.1215 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 8.3042 5.86753 9.6115 4.21235 5.85777 4.99883 numMergedOcc 0
23 mol 196 unq 1 iso 0 dist 8.3042 7.27651 9.30663 4.21235 5.85777 4.33607 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 8.28297 4.7869 7.44979 7.37147 8.0144 10.4409 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 8.28297 4.7869 7.44979 13.1366 7.80841 11.4774 numMergedOcc 0
26 mol 204 unq 2 iso 0 dist 8.28297 10.7847 9.4236 7.37147 8.0144 6.10425 numMergedOcc 0
27 mol 204 unq 3 iso 0 dist 8.28297 10.7847 9.4236 13.1366 7.80841 7.34669 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 9.00798 4.78765 7.82138 6.57025 6.11473 7.66494 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 9.99345 9.17301 4.37724 14.8586 7.91611 9.41638 numMergedOcc 0
