0 mol 56 unq 0 iso 0 dist 6.28472 8.25594 8.53367 15.6547 17.5052 9.03564 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 8.74881 8.25594 3.79961 15.6547 12.2729 9.03564 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.01261 9.90923 7.39155 14.8791 16.5849 9.8703 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 9.01261 9.90923 7.39155 5.31976 7.96497 7.39665 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 5.92974 9.76849 8.40245 6.06775 9.10189 7.51139 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 5.92974 9.76849 8.40245 14.7449 11.375 7.80898 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 9.66069 8.33185 10.1712 6.57937 14.2369 8.28795 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.65371 8.57774 7.58174 5.99695 10.1104 5.58833 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 6.26422 7.15213 12.2186 7.49673 13.4894 6.93139 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.80433 5.27578 8.96928 7.82249 11.2582 9.3498 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 5.80433 5.27578 8.96928 9.09826 11.2011 7.05695 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 6.8285 5.27578 6.66771 7.82249 12.6584 9.3498 numMergedOcc 0
12 mol 186 unq 3 iso 0 dist 6.8285 5.27578 6.66771 9.09826 10.088 7.05695 numMergedOcc 0
13 mol 186 unq 4 iso 0 dist 6.49786 8.25953 8.96928 5.47219 11.2582 9.3498 numMergedOcc 0
14 mol 186 unq 5 iso 0 dist 6.49786 8.25953 8.96928 6.51869 11.2011 7.05695 numMergedOcc 0
15 mol 186 unq 6 iso 0 dist 8.43154 8.25953 6.66771 5.47219 12.6584 9.3498 numMergedOcc 0
16 mol 186 unq 7 iso 0 dist 8.43154 8.25953 6.66771 6.51869 10.088 7.05695 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 5.91133 6.16832 4.03073 5.04898 7.82944 9.35274 numMergedOcc 0
18 mol 223 unq 0 iso 0 dist 7.97754 7.27963 6.59645 10.6103 12.699 6.42257 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 5.77356 9.67162 10.9455 5.52669 10.6445 8.23087 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 9.24309 9.67162 9.3486 5.52669 10.5433 8.23087 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 6.40309 9.67281 9.75095 7.01206 7.67322 9.12776 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 6.40309 9.67281 9.75095 11.2453 12.1104 9.72188 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 7.87164 9.67281 11.7938 7.01206 12.3367 9.12776 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 7.87164 9.67281 11.7938 11.2453 9.29858 9.72188 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 6.52635 5.38409 6.15056 4.78295 9.96573 6.44147 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 6.59786 6.95569 10.0013 11.0966 15.6072 6.31969 numMergedOcc 0
27 mol 273 unq 1 iso 0 dist 7.96519 6.95569 4.42663 11.0966 10.3657 6.31969 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 7.61398 6.24134 10.6055 9.237 16.319 7.80862 numMergedOcc 0
