0 mol 11 unq 0 iso 0 dist 7.05626 10.0711 9.09091 12.1543 7.5901 5.43238 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 9.60864 8.65083 7.21995 16.2755 9.85038 8.13782 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 9.19273 5.26498 7.52142 10.2245 9.65908 6.40036 numMergedOcc 0
3 mol 141 unq 0 iso 0 dist 7.57714 4.41049 5.52683 12.1683 6.76437 8.55681 numMergedOcc 0
4 mol 141 unq 1 iso 0 dist 7.57714 4.41049 5.52683 7.6461 5.39904 6.2135 numMergedOcc 0
5 mol 173 unq 0 iso 0 dist 6.07708 9.00192 6.64779 18.6245 15.1434 9.79554 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 8.70622 6.77092 6.99693 7.06919 4.57622 4.79852 numMergedOcc 0
7 mol 225 unq 0 iso 0 dist 8.00354 4.47442 7.73748 7.21089 6.16433 7.51827 numMergedOcc 0
8 mol 234 unq 0 iso 0 dist 9.33455 12.2893 7.43663 6.553 7.17691 8.49841 numMergedOcc 0
9 mol 234 unq 1 iso 0 dist 9.33455 12.2893 7.43663 10.8407 4.51304 9.6101 numMergedOcc 0
10 mol 234 unq 2 iso 0 dist 9.33455 10.3017 7.94068 10.8407 4.51304 5.32183 numMergedOcc 0
11 mol 235 unq 0 iso 0 dist 9.22128 10.584 7.95766 10.9039 4.29892 7.27958 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 6.62283 9.28896 8.90076 10.8792 13.3255 6.00721 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 8.60978 9.28896 6.62002 10.8792 9.71156 6.00721 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.499 6.19462 5.88802 11.2224 6.76677 7.25543 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 9.33975 4.3714 7.82157 9.34166 4.45514 9.69863 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 6.37362 4.3714 9.18069 9.34166 6.77492 9.69863 numMergedOcc 0
17 mol 280 unq 2 iso 0 dist 7.18775 5.90982 7.82157 7.23247 4.45514 9.69863 numMergedOcc 0
18 mol 280 unq 3 iso 0 dist 9.9394 5.90982 9.18069 7.23247 6.77492 9.69863 numMergedOcc 0
