0 mol 11 unq 0 iso 0 dist 9.10105 5.27651 9.81983 7.57272 9.89425 9.74251 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.08001 6.28147 9.81983 3.80723 9.89425 9.74251 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.05406 4.15396 7.37118 8.06805 6.52283 10.3779 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.11325 5.53262 7.11491 7.10524 7.78689 8.23404 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.86863 5.55385 7.1829 6.85602 7.70645 8.13327 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.09327 14.0774 9.13593 7.98867 4.29937 10.797 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.09327 14.0774 9.13593 9.38254 3.65628 7.04693 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 8.09327 14.0774 9.13593 16.6207 9.77774 6.7475 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 6.7686 14.0774 8.25144 7.98867 5.37869 10.797 numMergedOcc 0
9 mol 85 unq 4 iso 0 dist 6.7686 14.0774 8.25144 9.38254 4.05415 7.04693 numMergedOcc 0
10 mol 85 unq 5 iso 0 dist 6.7686 14.0774 8.25144 16.6207 9.97944 6.7475 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 6.46129 5.94062 7.30244 9.1262 4.14492 10.9073 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 7.7316 6.86493 7.30244 8.88403 4.14492 10.9073 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 7.09378 11.8219 9.84538 4.40503 8.6961 8.86736 numMergedOcc 0
14 mol 169 unq 1 iso 0 dist 7.57745 17.287 9.84538 13.2759 8.6961 8.86736 numMergedOcc 0
15 mol 213 unq 0 iso 0 dist 7.46064 7.66404 8.59946 14.1353 9.02881 8.99471 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 8.26789 12.2625 9.23152 5.99497 8.06767 7.08709 numMergedOcc 0
17 mol 287 unq 1 iso 0 dist 8.26789 12.2625 9.23152 12.0493 9.91087 16.9083 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 8.26789 12.2625 9.23152 5.99497 8.06767 7.08709 numMergedOcc 0
19 mol 288 unq 1 iso 0 dist 8.26789 12.2625 9.23152 12.0493 9.91087 16.9083 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 8.26789 12.2625 9.23152 5.99497 8.06767 7.08709 numMergedOcc 0
21 mol 289 unq 1 iso 0 dist 8.26789 12.2625 9.23152 12.0493 9.91087 16.9083 numMergedOcc 0
