0 mol 43 unq 0 iso 0 dist 7.7961 9.79432 6.38662 7.09975 9.38335 6.03134 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 9.60916 6.39254 8.48295 6.22691 5.51406 3.98211 numMergedOcc 0
2 mol 91 unq 1 iso 0 dist 9.44798 10.2245 8.48295 10.7783 5.51406 3.98211 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.38353 10.9853 9.61579 10.3969 7.11127 10.5888 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 7.38353 10.9853 9.61579 4.65134 6.91655 10.2369 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 6.39759 11.0794 9.28919 10.2731 9.18898 10.9738 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 6.39759 11.0794 9.28919 4.66752 7.67331 10.3703 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 6.82522 9.49698 7.923 11.756 9.49995 8.81193 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 6.82522 9.72663 8.54807 11.756 9.49995 9.30974 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 9.89353 10.596 7.923 5.04455 9.49995 8.81193 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 9.89353 10.7094 8.54807 5.04455 9.49995 9.30974 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 9.04436 17.9188 9.36038 3.98078 9.62943 18.0796 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 8.6207 14.1162 9.04442 6.45407 9.54753 11.4194 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 8.6207 14.1162 9.04442 7.17938 8.79411 9.27978 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 9.81938 9.60248 7.91956 4.79375 9.37035 5.52179 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 5.29176 8.65644 7.95977 9.11934 8.62191 5.98511 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 5.29176 10.7616 8.17025 9.11934 8.62191 8.72246 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.62404 13.0987 6.79839 7.03806 7.4513 12.5597 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 9.37847 15.6162 6.79839 4.69654 7.4513 12.5597 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.99187 12.9233 9.22345 6.65048 6.68863 10.1755 numMergedOcc 0
