0 mol 42 unq 0 iso 0 dist 8.23258 11.9681 9.82536 20.3598 14.514 9.83301 17.0322 13.1748 5.6382 5.52834 numMergedOcc 0
1 mol 94 unq 0 iso 0 dist 6.31237 6.3708 8.13248 6.63924 6.0901 8.93438 4.48902 10.0945 5.54718 9.25496 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 8.64107 4.97528 6.61066 5.91786 7.09627 6.17589 5.31483 9.28214 8.7758 9.41083 numMergedOcc 0
3 mol 115 unq 1 iso 0 dist 9.50575 4.97528 6.3982 5.91786 7.10772 6.17589 5.31483 14.3348 8.7758 9.41083 numMergedOcc 0
4 mol 115 unq 2 iso 0 dist 8.43116 10.0493 6.3982 12.4366 7.10772 6.17589 15.8831 14.3348 8.7758 9.41083 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 7.95671 4.16381 9.64123 6.4413 5.34721 6.17633 9.68187 13.9381 8.47619 9.18753 numMergedOcc 0
6 mol 150 unq 0 iso 0 dist 8.12659 4.19097 9.72257 6.62609 5.38822 6.20295 9.76535 13.968 8.33704 9.15244 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 8.77347 6.72843 5.47189 10.1736 12.5982 7.17789 8.70004 14.3228 10.2242 9.2254 numMergedOcc 0
8 mol 233 unq 0 iso 0 dist 6.48196 5.36235 4.94074 10.6501 10.2837 9.06221 4.26152 7.41931 4.67806 6.9103 numMergedOcc 0
9 mol 236 unq 0 iso 0 dist 5.77925 5.70162 6.0087 10.5189 5.27568 7.73969 14.2335 9.13551 11.1044 4.71683 numMergedOcc 0
10 mol 266 unq 0 iso 0 dist 6.95233 9.07546 8.82941 14.0372 9.7281 8.78501 16.8928 16.0719 8.96584 9.39714 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 7.23956 13.4588 6.86014 10.6227 7.44724 9.60879 10.2688 4.81916 4.00063 6.66936 numMergedOcc 0
12 mol 277 unq 1 iso 0 dist 7.23956 13.4588 6.86014 12.3059 5.77904 6.92271 10.2688 4.81916 4.00063 8.15119 numMergedOcc 0
13 mol 277 unq 2 iso 0 dist 7.23956 6.34637 5.97073 12.3059 5.77904 8.62666 10.2688 4.81916 9.31316 8.15119 numMergedOcc 0
14 mol 281 unq 0 iso 0 dist 9.37845 8.46058 8.32692 6.81536 5.81338 5.53313 9.38089 12.2104 4.48742 7.65321 numMergedOcc 0
