0 mol 6 unq 0 iso 0 dist 4.75521 6.11052 9.78307 6.21374 9.88195 6.13945 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 6.69294 13.7871 9.42142 13.7689 7.54797 5.2767 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 5.35021 11.3079 9.42142 8.39619 7.54797 5.2767 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.37527 5.90701 6.34078 10.9542 7.37357 5.30815 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 5.08925 5.22234 8.95808 8.63955 7.02558 9.89759 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 5.08925 5.8771 8.48766 8.63955 7.02558 12.1829 numMergedOcc 0
6 mol 83 unq 2 iso 0 dist 6.21251 6.40918 6.98121 4.21416 7.02558 7.25431 numMergedOcc 0
7 mol 83 unq 3 iso 0 dist 6.21251 6.40918 6.98121 11.6917 8.81183 6.04275 numMergedOcc 0
8 mol 83 unq 4 iso 0 dist 8.72972 12.4651 9.33202 4.37097 8.81183 13.7974 numMergedOcc 0
9 mol 83 unq 5 iso 0 dist 8.72972 6.82052 6.55004 4.37097 8.81183 7.57208 numMergedOcc 0
10 mol 83 unq 6 iso 0 dist 8.72972 10.9597 7.16614 4.37097 8.81183 9.77063 numMergedOcc 0
11 mol 83 unq 7 iso 0 dist 8.72972 13.4295 9.35188 4.37097 8.81183 10.944 numMergedOcc 0
12 mol 108 unq 0 iso 0 dist 7.84109 5.32598 6.46069 9.70034 7.84262 10.5433 numMergedOcc 0
13 mol 108 unq 1 iso 0 dist 7.84109 5.32598 6.46069 8.76505 9.29208 12.2277 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 9.92525 12.8431 7.66832 4.3081 9.0224 14.084 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 9.92525 11.975 8.11083 4.3081 9.0224 12.1102 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.39818 6.17994 5.28955 9.24899 8.09095 4.07356 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.91758 7.72465 5.28955 10.9961 8.09095 4.07356 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 6.61966 4.85533 6.67306 5.16666 9.95698 4.96095 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 4.84604 9.45934 6.85651 6.871 8.60913 11.5618 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 4.84604 5.10912 7.03858 6.871 8.60913 5.74462 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 7.76167 5.92269 6.60739 6.5387 8.9755 5.13979 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 8.63766 5.92269 9.22427 6.5387 6.58752 5.13979 numMergedOcc 0
23 mol 150 unq 0 iso 0 dist 7.83202 5.95123 6.71763 6.67151 9.06573 5.23046 numMergedOcc 0
24 mol 150 unq 1 iso 0 dist 8.7107 5.95123 9.32504 6.67151 6.62442 5.23046 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 9.10711 13.3146 8.56656 7.95448 9.79058 11.4822 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 9.86809 7.58901 6.56262 12.5105 6.41452 5.31797 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 6.075 9.47753 8.82869 5.51867 8.49287 5.66039 numMergedOcc 0
