0 mol 72 unq 0 iso 0 dist 4.69674 4.86198 3.93249 4.7874 6.48394 6.79423 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 8.81824 8.04242 7.59896 8.37717 7.67463 4.18248 numMergedOcc 0
2 mol 107 unq 0 iso 0 dist 7.02709 9.45682 3.35244 17.9917 11.4468 8.88124 numMergedOcc 0
3 mol 107 unq 1 iso 0 dist 7.02709 9.45682 3.35244 11.8593 10.2668 8.19484 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 5.94552 7.02367 8.9451 13.0914 13.9641 7.02358 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 5.94552 9.30832 4.43124 10.2689 10.3721 9.14336 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 8.10448 8.51123 4.89202 5.49724 7.39112 6.55227 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 8.1671 7.53694 3.47821 3.824 9.43682 7.84207 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 8.1671 7.53694 3.47821 4.96885 8.0564 8.56947 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 8.1671 8.38358 6.10769 9.4846 13.9772 9.31385 numMergedOcc 0
10 mol 120 unq 3 iso 0 dist 8.1671 8.38358 6.10769 3.824 9.43682 6.98791 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.16817 5.90765 10.0414 12.1883 13.1599 7.25595 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.16817 5.90765 10.0414 6.89146 12.2869 9.94825 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 9.73419 4.51255 9.90756 4.46135 9.24832 6.80296 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 6.11803 6.23183 9.90756 3.56132 9.24832 6.80296 numMergedOcc 0
15 mol 206 unq 2 iso 0 dist 9.99824 4.51255 13.815 4.46135 12.5218 6.80296 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.29422 5.77511 13.1078 10.0874 18.5982 8.66299 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 6.64082 4.9764 11.4713 7.75371 11.1081 7.98956 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 6.64082 6.36559 11.9414 7.75371 11.1081 5.86185 numMergedOcc 0
