0 mol 26 unq 0 iso 0 dist 9.07029 4.18634 9.63803 8.69142 10.5687 6.07276 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.30547 13.9221 8.55202 16.0016 10.7567 5.43693 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.60134 8.02989 9.42184 16.2917 15.0409 8.4701 numMergedOcc 0
3 mol 128 unq 0 iso 0 dist 5.32517 6.24319 7.95999 9.95168 7.03613 7.8929 numMergedOcc 0
4 mol 128 unq 1 iso 0 dist 7.4738 6.24319 9.45412 9.95168 10.9024 7.8929 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 8.47476 11.0797 5.56446 16.7298 12.541 7.58337 numMergedOcc 0
6 mol 146 unq 0 iso 0 dist 6.98479 4.84029 8.85403 6.75663 3.98961 9.10637 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 5.67586 4.78116 5.06116 11.7413 9.10645 8.71789 numMergedOcc 0
8 mol 154 unq 1 iso 0 dist 5.67586 4.78116 5.06116 5.57798 4.02111 5.2693 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 9.53702 11.4368 6.51523 14.3972 4.98945 7.47964 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 6.22466 13.2447 9.18289 10.6368 6.33168 6.56416 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 6.22466 6.21482 6.52441 10.6368 6.33168 6.88127 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 6.22466 4.68208 6.26168 8.34668 5.18732 9.99396 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 9.81938 11.924 7.85801 15.0644 9.87367 8.15661 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 9.66554 10.7866 9.49163 16.8658 11.2979 9.82043 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 9.66554 10.7866 9.49163 17.1289 11.0488 8.22922 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 7.47945 3.35321 5.39924 9.75061 4.32578 7.39085 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 8.99187 10.5437 5.72473 14.7868 6.08322 8.62162 numMergedOcc 0
