0 mol 14 unq 0 iso 0 dist 9.24546 10.495 7.59564 4.52143 7.73217 6.24146 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.79091 10.495 8.10957 9.9941 8.82819 4.81121 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 7.79091 10.495 8.10957 7.28936 5.36937 7.95811 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 7.79091 10.495 8.10957 4.52143 5.99703 6.24146 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 7.45482 6.28699 8.8795 8.2572 8.44473 10.0338 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.53329 9.03693 9.32184 6.50858 7.25721 7.88096 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.50028 5.19187 7.45777 14.2704 6.3777 12.3394 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.75977 10.7488 8.15664 5.41023 7.11695 6.09495 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 7.62091 6.35865 6.11833 6.06944 9.94398 11.5147 numMergedOcc 0
9 mol 105 unq 1 iso 0 dist 7.62091 3.51216 7.12201 6.06944 9.94398 9.36409 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.98949 12.1136 6.08846 8.78709 8.88233 6.58443 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 8.98949 15.0398 9.19171 8.78709 8.88233 10.4466 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.13917 4.61198 8.8353 17.9704 9.47554 17.2988 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 9.83891 13.6481 7.86075 12.8078 9.19061 5.27534 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 7.52692 4.89826 6.62514 7.60912 9.24822 9.44151 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 7.52692 5.5367 6.20044 7.60912 9.24822 6.12296 numMergedOcc 0
16 mol 204 unq 2 iso 0 dist 7.52692 9.88124 9.41996 7.60912 9.24822 7.6966 numMergedOcc 0
17 mol 204 unq 3 iso 0 dist 9.7707 11.9869 6.62514 5.70227 9.24822 9.44151 numMergedOcc 0
18 mol 204 unq 4 iso 0 dist 9.7707 9.42629 6.20044 5.70227 9.24822 6.12296 numMergedOcc 0
19 mol 204 unq 5 iso 0 dist 9.7707 7.50076 9.41996 5.70227 9.24822 7.6966 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.92349 11.12 5.25149 14.8454 5.39218 6.19375 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 9.82101 9.17371 8.52996 12.9755 5.90092 9.00536 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 8.24184 13.2154 8.63249 7.41111 5.90804 10.2557 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 8.24184 6.63806 7.74348 7.41111 5.90804 6.49831 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.32251 14.2481 9.86267 10.3684 6.11671 7.02254 numMergedOcc 0
