0 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 14.3847 14.9082 8.84944 15.4702 9.69698 7.67459 11.3412 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.47617 11.3388 8.03754 10.2091 4.80528 7.21995 15.4702 9.69698 7.67459 5.88097 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 7.74108 4.42326 8.02261 12.0412 7.38126 9.24055 11.2223 11.7927 9.34552 12.3514 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 7.74108 4.42326 8.02261 13.1181 10.7639 9.66898 11.2223 11.7927 9.34552 7.15478 numMergedOcc 0
4 mol 75 unq 0 iso 0 dist 8.64872 9.39059 6.96759 12.1267 5.56574 4.76466 11.7521 9.14798 7.93145 7.91223 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 6.47346 3.86284 6.42706 10.8239 6.29782 9.61101 10.2237 6.65856 7.26325 6.64929 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.94909 6.14253 9.47554 13.8059 17.2988 8.8353 7.55581 14.5299 5.92836 7.82218 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 14.4446 14.069 9.65031 16.6493 9.50073 9.27341 12.1354 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 10.1793 4.46956 8.51844 16.6493 9.50073 9.27341 6.67687 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 20.3843 18.5654 9.52029 20.1278 15.0515 9.23669 13.8486 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 6.73266 7.03981 9.44947 13.969 18.5654 9.52029 14.613 15.0515 9.23669 13.8486 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 9.61379 8.96279 7.49783 13.0995 6.87755 6.23677 11.6333 11.9904 8.96263 8.8161 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 9.61379 8.96279 7.49783 17.005 12.3271 9.04741 11.6333 11.9904 8.96263 9.46987 numMergedOcc 0
13 mol 224 unq 2 iso 0 dist 9.61379 8.96279 7.49783 13.0235 11.0252 7.31608 11.6333 11.9904 8.96263 3.92881 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 8.69345 10.7413 6.11671 15.6543 7.02254 9.86267 10.1101 5.55516 9.78704 8.46595 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 9.0021 7.41099 5.41639 10.0528 6.07005 4.45141 13.7828 8.30978 6.38295 5.846 numMergedOcc 0
