0 mol 0 unq 0 iso 0 dist 8.85565 7.79297 7.49611 15.7686 6.94181 13.1231 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.34858 8.06275 5.90113 5.5249 9.17086 8.80331 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.87902 9.91591 7.21232 7.37274 9.04228 14.2879 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 9.60641 8.30653 11.76 9.66495 7.63663 16.1199 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 9.60641 6.91739 11.4099 9.66495 7.63663 14.3002 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 7.68652 6.77833 14.2824 5.33532 7.63663 9.65964 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 4.48773 9.25901 5.51793 6.75623 8.44515 12.5112 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 4.48773 7.96299 6.1985 6.75623 8.44515 5.83409 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.17664 8.64107 12.4408 6.68557 6.55511 11.5333 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 9.17664 9.50575 5.47689 6.68557 6.55511 5.11551 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 9.18913 8.43116 5.47689 4.96719 6.55511 5.11551 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 9.18913 6.23645 6.00348 4.96719 6.55511 7.11972 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.82079 7.5055 7.33132 10.9541 9.79004 8.22656 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.82079 7.5055 7.33132 5.61003 8.43069 6.82262 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 5.49328 9.57509 6.23135 7.17212 7.15087 13.371 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 9.95318 9.79816 15.2473 7.82717 8.2088 12.8943 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.20248 8.82778 4.77446 11.4665 6.83046 6.16342 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 7.53963 6.94723 10.9032 15.2072 8.80588 19.6048 numMergedOcc 0
