0 mol 29 unq 0 iso 0 dist 8.9204 9.64034 12.9694 5.3571 9.41017 14.8532 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 8.9204 8.26334 8.16431 5.3571 9.41017 5.09702 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.42242 6.68961 3.90503 7.51675 6.07052 8.70763 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.13535 7.69222 13.5897 5.75925 5.7684 10.7236 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.13535 5.82056 12.3893 5.75925 5.7684 8.46627 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.13535 9.09115 14.6305 5.75925 5.7684 9.22208 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 8.83135 8.52436 10.8586 11.053 5.05893 13.6382 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 8.83135 8.52436 10.8586 7.97629 5.71866 12.3427 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 7.61237 5.23695 12.1608 7.98912 9.59437 12.2891 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 6.48695 8.57774 4.28744 6.57177 9.35533 8.25397 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 7.50264 5.20195 6.06606 10.5179 7.83568 9.54071 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 6.80226 6.51243 4.8427 4.92282 8.33407 7.01095 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 6.4751 9.67711 11.4851 15.1472 9.34834 16.0047 numMergedOcc 0
13 mol 171 unq 1 iso 0 dist 6.4751 9.67711 11.4851 10.2839 5.74846 9.80507 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 9.54381 8.62843 14.1115 9.91008 9.63518 15.3568 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 5.94449 5.61134 3.70525 6.08238 8.98854 10.3337 numMergedOcc 0
16 mol 279 unq 1 iso 0 dist 7.66302 5.61134 11.7578 6.08238 9.42255 10.3337 numMergedOcc 0
