0 mol 73 unq 0 iso 0 dist 8.64736 7.10218 12.669 6.61758 7.57443 9.42184 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 6.14674 6.99586 6.48115 6.13489 9.50373 9.68629 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.4204 5.96246 5.88327 4.84407 9.49995 9.70292 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.21813 5.91797 3.92737 6.80592 8.55509 5.33961 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.21813 5.91797 3.92737 13.4907 12.4401 9.29816 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 5.21813 5.91797 3.92737 9.55396 5.94696 5.08983 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 5.21813 6.37954 3.94967 10.4899 10.9995 8.3505 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.88541 8.00085 5.79394 14.8896 14.6154 9.46621 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 9.88541 8.00085 5.79394 13.5611 15.5751 9.94704 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 8.49444 5.32773 7.1951 6.61244 9.09263 6.12348 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.49444 5.32773 7.1951 4.80164 10.1107 7.2672 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 5.55446 5.32773 3.84573 6.61244 5.37302 6.12348 numMergedOcc 0
12 mol 113 unq 3 iso 0 dist 5.55446 5.32773 3.84573 4.80164 8.47541 7.2672 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.08299 6.14652 6.93712 13.5949 11.9876 8.78303 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 9.03552 5.30818 7.33583 6.54652 9.43938 6.27683 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 9.03552 5.30818 7.33583 4.85063 10.6152 7.1757 numMergedOcc 0
16 mol 169 unq 2 iso 0 dist 5.77897 5.30818 3.95773 6.54652 5.51388 6.27683 numMergedOcc 0
17 mol 169 unq 3 iso 0 dist 5.77897 5.30818 3.95773 4.85063 8.68909 7.1757 numMergedOcc 0
18 mol 169 unq 4 iso 0 dist 8.59976 8.89822 7.33583 14.3008 9.43938 6.27683 numMergedOcc 0
19 mol 169 unq 5 iso 0 dist 8.59976 8.89822 7.33583 12.1929 10.6152 7.1757 numMergedOcc 0
20 mol 169 unq 6 iso 0 dist 9.71763 8.89822 3.95773 14.3008 5.51388 6.27683 numMergedOcc 0
21 mol 169 unq 7 iso 0 dist 9.71763 8.89822 3.95773 12.1929 8.68909 7.1757 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 6.71675 8.09403 4.67256 3.76321 8.95598 8.27396 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 5.27184 5.9625 3.86189 5.05085 8.37813 9.94117 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 7.98527 5.9625 5.69926 5.05085 10.4481 9.94117 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 8.18864 9.61255 16.6645 10.0125 15.4463 7.15079 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 8.18864 7.64703 10.3776 6.59723 12.5978 4.97796 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 5.02385 9.88198 9.85432 13.9436 13.1175 7.59142 numMergedOcc 0
