0 mol 0 unq 0 iso 0 dist 8.85565 15.7686 6.94181 11.9298 5.47921 7.15528 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.76715 13.5414 6.89209 14.0135 5.49061 6.38364 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.41865 10.4881 7.51406 15.294 6.4487 8.34347 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.34858 5.5249 9.17086 8.06275 5.90113 8.80331 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 8.29434 5.64335 7.70026 12.3219 13.9113 7.34143 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 9.60641 9.66495 7.63663 16.6021 14.2824 9.65964 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 7.68652 5.33532 7.63663 6.77833 14.2824 9.65964 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.74157 5.53115 8.27015 12.1018 12.6626 8.70481 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.17845 8.72921 6.56728 15.5761 11.609 7.47541 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.17845 8.72921 6.56728 16.2043 13.5384 7.66905 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 7.17845 8.72921 6.56728 11.2403 5.29763 5.73196 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 4.48773 6.75623 8.44515 7.96299 6.1985 5.83409 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.17664 6.68557 6.55511 9.50575 5.47689 5.11551 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 9.17664 6.68557 6.55511 12.88 6.00348 7.11972 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 9.18913 4.96719 6.55511 8.43116 5.47689 5.11551 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 9.18913 4.96719 6.55511 6.23645 6.00348 7.11972 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.82079 10.9541 9.79004 13.494 10.0277 7.24514 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 8.82079 10.9541 9.79004 7.5055 7.33132 8.22656 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 8.82079 5.61003 8.43069 7.5055 7.33132 6.82262 numMergedOcc 0
19 mol 142 unq 0 iso 0 dist 5.49328 7.17212 7.15087 11.9068 8.68855 9.2313 numMergedOcc 0
20 mol 142 unq 1 iso 0 dist 5.49328 7.17212 7.15087 9.11832 5.50176 5.31024 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 8.36193 9.83606 8.8557 12.4887 5.65373 8.22528 numMergedOcc 0
22 mol 229 unq 1 iso 0 dist 8.36193 5.79178 5.00457 12.4887 5.65373 7.03423 numMergedOcc 0
23 mol 229 unq 2 iso 0 dist 8.36193 5.79178 5.00457 12.3226 6.23084 9.06952 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.20248 11.4665 6.83046 8.82778 4.77446 6.16342 numMergedOcc 0
25 mol 280 unq 0 iso 0 dist 7.53963 15.2072 8.80588 15.1395 8.30978 6.53701 numMergedOcc 0
26 mol 280 unq 1 iso 0 dist 7.53963 15.2072 8.80588 13.3149 5.80223 6.0664 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 7.75061 5.0105 5.18789 10.8105 5.57044 8.15665 numMergedOcc 0
