0 mol 62 unq 0 iso 0 dist 4.85282 6.02731 7.46975 5.6359 5.46563 4.09232 4.05764 8.1599 4.74544 6.9103 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 5.77675 5.86118 4.31746 5.35145 3.77705 5.26394 6.45647 9.46247 11.6703 8.3733 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.25884 8.59945 10.0241 7.29121 10.3688 5.98721 5.82571 8.04256 12.1896 12.6359 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 8.25884 8.59945 10.0241 8.35847 12.639 9.66249 5.82571 8.04256 12.1896 14.0218 numMergedOcc 0
4 mol 171 unq 0 iso 0 dist 7.7195 8.53734 4.98945 7.87612 13.0669 11.4427 11.071 6.07091 9.61462 18.0601 numMergedOcc 0
5 mol 171 unq 1 iso 0 dist 8.30819 6.08141 4.98945 5.98495 9.74745 4.88147 10.3893 6.07091 9.61462 13.5 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 5.39622 8.28099 5.18732 5.09756 3.6848 4.03697 5.01462 8.96988 10.6519 8.90571 numMergedOcc 0
7 mol 186 unq 1 iso 0 dist 5.39622 8.28099 5.18732 7.44523 5.33968 8.99937 5.01462 8.96988 10.6519 12.3127 numMergedOcc 0
8 mol 225 unq 0 iso 0 dist 9.60654 8.65088 7.43844 9.48525 16.0311 10.3327 5.78711 9.13552 10.9206 12.5878 numMergedOcc 0
9 mol 232 unq 0 iso 0 dist 8.15743 8.70651 6.36084 7.13253 6.54593 4.68548 9.88635 7.70279 8.50102 11.4909 numMergedOcc 0
10 mol 232 unq 1 iso 0 dist 8.15743 8.70651 6.36084 7.13253 6.54593 4.68548 5.08111 9.29752 9.40808 10.3021 numMergedOcc 0
11 mol 234 unq 0 iso 0 dist 5.67249 8.88567 6.06471 4.37501 4.86668 10.2835 5.19951 7.46434 6.30154 8.84746 numMergedOcc 0
12 mol 234 unq 1 iso 0 dist 5.67249 9.45787 11.1213 4.37501 4.86668 11.1693 5.19951 7.46434 7.32499 8.84746 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 5.1766 7.24253 3.87679 5.91328 8.61196 10.1372 6.54531 6.86162 7.49645 12.3379 numMergedOcc 0
14 mol 243 unq 1 iso 0 dist 5.1766 7.24253 3.87679 6.02146 10.4256 12.4661 6.54531 6.86162 7.49645 12.1846 numMergedOcc 0
15 mol 243 unq 2 iso 0 dist 5.1766 7.83742 10.9686 5.91328 8.61196 10.2211 6.54531 6.86162 11.1208 12.3379 numMergedOcc 0
16 mol 243 unq 3 iso 0 dist 5.1766 7.83742 10.9686 6.02146 10.4256 7.64155 6.54531 6.86162 11.1208 12.1846 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 6.84909 5.54272 6.08322 8.51266 11.4255 9.83556 11.5692 9.64124 14.7209 15.3341 numMergedOcc 0
18 mol 292 unq 1 iso 0 dist 6.84909 5.54272 6.08322 8.51266 11.4255 9.83556 11.634 9.30668 14.0973 17.9019 numMergedOcc 0
