0 mol 37 unq 0 iso 0 dist 7.7568 6.69711 9.08524 5.49728 5.98359 9.98549 5.04485 8.98454 11.5424 4.40037 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.34078 6.94351 5.29167 4.97125 9.35329 11.667 3.81058 9.21833 9.0927 5.35632 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.06225 6.57826 7.43853 13.42 7.71596 11.3404 11.0447 8.5069 11.0013 4.43742 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 9.4046 6.98838 6.64721 7.17073 6.41105 9.0321 7.32542 5.9443 5.28732 5.29991 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 9.4046 6.98838 6.64721 7.17073 6.41105 9.0321 11.423 9.16708 10.3032 6.73292 numMergedOcc 0
5 mol 183 unq 0 iso 0 dist 9.92635 7.42108 16.8061 15.7519 9.81282 20.7391 10.4828 8.41645 17.6489 16.3902 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 9.71223 9.08641 14.6658 13.4102 8.09373 20.9003 3.6848 9.82338 10.5584 12.1879 numMergedOcc 0
7 mol 186 unq 1 iso 0 dist 9.71223 9.08641 14.6658 13.4102 8.09373 20.9003 5.33968 7.99933 14.1428 9.09562 numMergedOcc 0
8 mol 218 unq 0 iso 0 dist 6.2441 8.27907 11.0649 6.7488 5.98076 13.6078 3.5359 8.38813 11.2108 6.13691 numMergedOcc 0
9 mol 219 unq 0 iso 0 dist 9.52151 7.15624 10.277 6.28221 7.98941 9.69976 7.79138 8.38773 11.1883 11.321 numMergedOcc 0
10 mol 243 unq 0 iso 0 dist 8.28364 7.77265 6.88405 9.10714 9.60437 14.096 10.4256 7.89993 9.57085 9.84746 numMergedOcc 0
11 mol 243 unq 1 iso 0 dist 8.28364 9.65322 12.946 9.10714 9.60437 18.3513 10.4256 7.89993 16.9212 9.84746 numMergedOcc 0
12 mol 269 unq 0 iso 0 dist 7.97206 9.92223 7.20409 12.5683 9.91093 16.5332 12.7945 7.92043 13.7509 11.5175 numMergedOcc 0
13 mol 269 unq 1 iso 0 dist 7.97206 5.98602 4.52168 12.5683 9.91093 13.3316 12.7945 7.92043 11.2865 11.5175 numMergedOcc 0
14 mol 269 unq 2 iso 0 dist 7.1068 9.78238 4.52168 10.2496 9.91093 13.3316 3.70752 7.92043 11.2865 11.5175 numMergedOcc 0
