0 mol 43 unq 0 iso 0 dist 9.57204 8.90024 17.7655 12.664 21.5432 9.83618 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 5.88647 5.48831 5.46166 5.94737 10.9109 7.321 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 8.63253 8.84131 6.42572 6.87786 11.9326 9.94856 numMergedOcc 0
3 mol 102 unq 1 iso 0 dist 5.15752 8.84131 5.54551 6.87786 9.50209 9.94856 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.35267 9.26438 11.8891 10.7144 16.3304 5.87358 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 9.63311 6.37528 6.31152 4.55723 12.2958 6.87861 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 8.0631 6.37528 5.56084 4.55723 5.60716 6.87861 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 8.90273 6.37528 6.98664 4.55723 5.52706 6.87861 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 8.25764 6.71293 5.31501 11.045 11.2191 6.83051 numMergedOcc 0
9 mol 124 unq 1 iso 0 dist 8.25764 6.71293 5.31501 11.7813 12.1689 9.28376 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 6.42569 8.94541 9.54131 5.24231 10.2207 8.94837 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 8.81385 7.88846 4.28891 5.66378 5.04916 7.18956 numMergedOcc 0
12 mol 235 unq 0 iso 0 dist 6.82475 6.56775 5.19684 4.25998 7.29546 5.65339 numMergedOcc 0
13 mol 235 unq 1 iso 0 dist 9.37896 7.8128 5.47633 7.62542 8.60471 9.58736 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 9.86445 5.77925 10.054 11.3746 13.6012 7.17676 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 9.86445 5.77925 10.054 5.79263 9.96007 6.68463 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 9.04513 8.49415 13.1882 9.3596 15.3757 6.34034 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 5.7099 9.91518 9.40662 7.70648 7.76881 6.35287 numMergedOcc 0
