0 mol 32 unq 0 iso 0 dist 9.5209 14.8037 7.48825 15.9404 7.14527 4.62858 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 8.9881 6.6949 7.48825 10.0514 7.14527 4.62858 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.4815 9.12499 8.55901 12.1588 4.46241 8.90835 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.23418 12.8536 8.13782 17.3761 9.85038 7.21995 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 8.23418 12.8536 8.13782 19.6043 13.1805 9.62637 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 9.29144 4.34088 9.49413 12.4652 13.9603 8.809 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.36283 5.39389 7.99631 12.9167 11.4407 7.70313 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 6.33375 6.15672 6.4218 12.8792 12.2578 6.93279 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 7.59889 10.1479 5.63811 11.315 4.35399 8.60108 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.96294 9.64591 6.2135 14.1512 8.7258 5.26989 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.96294 9.64591 6.2135 11.983 6.67552 7.76442 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 9.76389 10.6438 6.2135 15.5018 8.7258 5.26989 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 9.76389 10.6438 6.2135 15.8945 6.67552 7.76442 numMergedOcc 0
13 mol 141 unq 4 iso 0 dist 7.6461 4.41049 6.2135 7.57714 5.39904 5.52683 numMergedOcc 0
14 mol 141 unq 5 iso 0 dist 7.1093 12.3074 6.2135 12.2901 5.39904 5.52683 numMergedOcc 0
15 mol 141 unq 6 iso 0 dist 7.36421 9.581 6.2135 11.2266 5.39904 5.52683 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 7.36432 6.83479 7.23499 11.1288 8.17657 6.455 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 7.06919 6.77092 4.79852 10.7125 4.30489 5.4997 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 7.06919 6.77092 4.79852 8.70622 4.57622 6.99693 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 7.82604 9.09192 8.20656 12.8705 14.048 9.06217 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 7.82604 12.1848 9.40622 12.8705 14.048 7.13252 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 8.80672 4.22625 5.89018 11.2189 8.92711 9.55606 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 7.21089 15.3506 8.75834 24.6208 17.6349 9.47117 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 7.21089 4.47442 7.51827 8.00354 6.16433 7.73748 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 6.553 12.2893 8.49841 9.33455 7.17691 7.43663 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 7.8126 9.12208 7.27958 11.4588 4.29892 7.95766 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.58887 6.36095 6.00721 11.4496 4.38002 7.04753 numMergedOcc 0
27 mol 250 unq 0 iso 0 dist 9.7235 7.10297 8.86638 11.5493 7.73342 6.28538 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 9.34166 4.3714 9.69863 9.33975 4.45514 7.82157 numMergedOcc 0
29 mol 280 unq 1 iso 0 dist 9.34166 4.3714 9.69863 6.37362 6.77492 9.18069 numMergedOcc 0
30 mol 280 unq 2 iso 0 dist 7.23247 5.90982 9.69863 7.18775 4.45514 7.82157 numMergedOcc 0
31 mol 280 unq 3 iso 0 dist 7.23247 5.90982 9.69863 9.9394 6.77492 9.18069 numMergedOcc 0
