0 mol 6 unq 0 iso 0 dist 9.83082 5.13721 9.5447 11.4258 9.07564 6.94663 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.74463 12.181 6.18431 11.1641 6.77807 7.60549 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.14598 12.8157 5.80953 14.3935 7.7447 9.63925 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.14248 8.79016 8.77077 5.50078 5.45099 3.94039 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 6.14248 8.79016 8.77077 11.6055 8.44765 5.61505 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 6.14248 8.79016 8.77077 13.5729 9.06643 8.43884 numMergedOcc 0
6 mol 76 unq 3 iso 0 dist 6.97936 15.4077 8.77077 11.6853 5.45099 3.94039 numMergedOcc 0
7 mol 76 unq 4 iso 0 dist 6.97936 15.4077 8.77077 15.0489 8.44765 5.61505 numMergedOcc 0
8 mol 76 unq 5 iso 0 dist 6.97936 15.4077 8.77077 14.2393 9.06643 8.43884 numMergedOcc 0
9 mol 76 unq 6 iso 0 dist 5.00466 6.67172 8.77077 4.94673 5.45099 3.94039 numMergedOcc 0
10 mol 76 unq 7 iso 0 dist 5.00466 6.67172 8.77077 5.78236 8.44765 5.61505 numMergedOcc 0
11 mol 76 unq 8 iso 0 dist 5.00466 6.67172 8.77077 4.73151 9.06643 8.43884 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 7.7288 8.19994 6.5551 6.59223 4.78333 5.84075 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 7.7288 8.19994 6.5551 4.09431 4.74254 5.41884 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 7.96541 5.58658 9.85438 9.69599 7.0961 7.27069 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 7.96541 5.58658 9.85438 7.91845 8.26768 4.51252 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 9.67711 6.4423 7.47964 14.9311 9.68512 8.77204 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.49577 8.59979 9.45907 5.86994 8.17928 14.2269 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.76574 5.80701 9.45907 16.9837 8.17928 14.2269 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 8.44337 11.8686 8.15661 14.2741 6.94187 5.96435 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 6.50586 8.3451 8.31721 4.51847 7.88986 10.4367 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 6.50586 8.3451 8.31721 10.9814 7.4185 5.27881 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 8.44407 5.74127 5.31416 10.4614 9.59928 6.28944 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 6.0155 5.74127 5.44533 10.4614 7.70062 6.28944 numMergedOcc 0
24 mol 214 unq 2 iso 0 dist 6.0155 5.74127 5.44533 9.84398 7.66702 7.23583 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 9.09697 5.72903 7.30592 14.9525 7.98132 12.5391 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 9.09697 5.72903 7.30592 16.5417 7.99036 13.1055 numMergedOcc 0
27 mol 224 unq 2 iso 0 dist 9.09697 13.6815 9.46687 14.9525 7.98132 9.61316 numMergedOcc 0
28 mol 224 unq 3 iso 0 dist 9.09697 13.6815 9.46687 16.5417 7.99036 8.81276 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 4.93584 11.7682 9.63518 6.91113 9.83672 13.8751 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 5.60245 10.8812 9.63518 11.2811 9.83672 13.8751 numMergedOcc 0
31 mol 282 unq 0 iso 0 dist 6.00439 5.61995 9.38222 5.17343 9.06947 10.2578 numMergedOcc 0
