0 mol 0 unq 0 iso 0 dist 9.42137 7.65884 9.23213 5.66453 6.26831 4.04089 13.5016 5.47921 10.961 9.83355 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.42137 12.7756 8.81979 5.66453 6.26831 7.56754 13.5016 5.47921 11.2375 9.83355 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 11.7823 6.73162 14.6525 8.44506 8.13684 12.9904 11.1182 15.0861 9.97991 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.58841 10.5948 8.97793 5.25697 4.79949 6.81799 13.2925 6.71804 8.35595 9.42735 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.58841 10.5948 8.97793 10.7962 7.27693 6.42322 13.2925 6.71804 8.35595 9.98078 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 8.58841 13.8628 8.19682 5.25697 4.79949 8.83525 13.2925 6.71804 6.22513 9.42735 numMergedOcc 0
6 mol 76 unq 3 iso 0 dist 8.58841 13.8628 8.19682 10.7962 7.27693 5.77727 13.2925 6.71804 6.22513 9.98078 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 4.98864 5.46352 6.99777 5.01124 5.74857 6.03931 9.94634 7.12329 6.87582 9.03491 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 4.98864 10.1017 9.14376 5.01124 5.74857 5.99374 9.94634 7.12329 12.696 9.03491 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 7.95871 10.3995 6.99777 7.39793 5.74857 6.03931 14.3885 7.12329 6.87582 9.03491 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 7.95871 9.81323 9.14376 7.39793 5.74857 5.99374 14.3885 7.12329 12.696 9.03491 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 8.32241 4.56139 7.75534 5.93497 9.46588 5.83002 10.6754 5.50061 10.8729 9.31118 numMergedOcc 0
12 mol 126 unq 1 iso 0 dist 8.32241 4.56139 7.75534 5.93497 9.46588 5.83002 14.0573 13.2671 12.3377 8.44104 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 9.51764 6.09245 6.97182 10.5029 6.38157 9.26037 14.1717 5.68711 12.4978 7.30003 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 9.51764 10.8345 6.1175 10.5029 6.38157 11.353 14.1717 5.68711 11.0481 7.30003 numMergedOcc 0
15 mol 214 unq 2 iso 0 dist 5.36829 8.69149 6.97182 8.38755 6.38157 9.26037 7.71569 5.68711 12.4978 7.30003 numMergedOcc 0
16 mol 214 unq 3 iso 0 dist 5.36829 6.00706 6.1175 8.38755 6.38157 11.353 7.71569 5.68711 11.0481 7.30003 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 5.89502 11.889 7.19465 5.73565 7.77998 14.5407 13.7611 13.1177 17.8247 8.72947 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 7.15815 8.75798 7.19465 9.82329 7.77998 14.5407 14.0946 13.1177 17.8247 8.72947 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 7.82899 7.37187 7.14834 5.76954 9.95546 5.21218 9.27027 6.64096 7.48361 8.14632 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 6.42725 7.53102 6.77938 12.2782 8.59697 12.1218 11.4709 5.43184 11.4829 8.30744 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 6.42725 6.58569 7.76676 12.2782 8.59697 9.22203 11.4709 5.43184 12.2858 8.30744 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.65265 6.93865 6.50589 14.2269 7.4099 12.6784 9.04647 5.56999 9.89613 8.9766 numMergedOcc 0
